Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO30115 | Aucklandia lappa | NA | NA | NA | TCM_Taiwan* | |||
NPO29639 | Aucklandiae radix | NA | NA | NA | TCMSP* | |||
NPO18650 | Carassius auratus | Species | Cyprinidae | Eukaryota | TCMID* | |||
NPO25825 | Saussurea costus | Species | Asteraceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | > | 128 | ug/ml | 9784148 |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | CD50 | = | 7.5 | ug/ml | 14510592 |
NPT165 | Cell Line | HeLa | Homo sapiens | CD50 | = | 13.5 | ug/ml | 14510592 |
NPT65 | Cell Line | HepG2 | Homo sapiens | CD50 | = | 15 | ug/ml | 14510592 |
NPT855 | Organism | Allium cepa | Allium cepa | Inhibition | > | 40 | % | 11087474 |
NPT119 | Organism | Triticum aestivum | Triticum aestivum | Inhibition | > | 40 | % | 11087474 |
NPT959 | Organism | Solanum lycopersicum | Solanum lycopersicum | Inhibition | > | 40 | % | 11087474 |
NPT3130 | Organism | Lepidium sativum | Lepidium sativum | Inhibition | > | 40 | % | 11087474 |
NPT855 | Organism | Allium cepa | Allium cepa | Activity | > | 40 | % | 11087474 |
NPT119 | Organism | Triticum aestivum | Triticum aestivum | Activity | > | 40 | % | 11087474 |
NPT959 | Organism | Solanum lycopersicum | Solanum lycopersicum | Activity | > | 40 | % | 11087474 |
NPT3130 | Organism | Lepidium sativum | Lepidium sativum | Activity | > | 40 | % | 11087474 |
NPT364 | Organism | Lactuca sativa | Lactuca sativa | Inhibition | < | 20 | % | 11087474 |
NPT364 | Organism | Lactuca sativa | Lactuca sativa | Activity | < | 20 | % | 11087474 |
NPT119 | Organism | Triticum aestivum | Triticum aestivum | Inhibition | = | 20 | % | 11087474 |
NPT959 | Organism | Solanum lycopersicum | Solanum lycopersicum | Inhibition | = | 20 | % | 11087474 |
NPT119 | Organism | Triticum aestivum | Triticum aestivum | Activity | = | 20 | % | 11087474 |
NPT959 | Organism | Solanum lycopersicum | Solanum lycopersicum | Activity | = | 20 | % | 11087474 |
NPT3091 | Organism | Orobanche cernua var. cumana | Orobanche cernua var. cumana | Activity | > | 40 | % | 11902932 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC194859 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
1.0 | High Similarity | NPC224386 |
0.975 | High Similarity | NPC187661 |
0.9512 | High Similarity | NPC207114 |
0.9512 | High Similarity | NPC217983 |
0.9398 | High Similarity | NPC38392 |
0.9367 | High Similarity | NPC126248 |
0.9286 | High Similarity | NPC19087 |
0.9268 | High Similarity | NPC56593 |
0.9176 | High Similarity | NPC184063 |
0.9167 | High Similarity | NPC155935 |
0.9167 | High Similarity | NPC215556 |
0.9146 | High Similarity | NPC284534 |
0.9146 | High Similarity | NPC300082 |
0.9146 | High Similarity | NPC204105 |
0.9136 | High Similarity | NPC128246 |
0.9059 | High Similarity | NPC54065 |
0.9059 | High Similarity | NPC297474 |
0.9059 | High Similarity | NPC35809 |
0.9059 | High Similarity | NPC216284 |
0.9048 | High Similarity | NPC79549 |
0.9012 | High Similarity | NPC246076 |
0.8953 | High Similarity | NPC293001 |
0.8953 | High Similarity | NPC133888 |
0.8953 | High Similarity | NPC171360 |
0.8953 | High Similarity | NPC63193 |
0.8953 | High Similarity | NPC475925 |
0.8953 | High Similarity | NPC57304 |
0.8953 | High Similarity | NPC29821 |
0.8953 | High Similarity | NPC35959 |
0.8929 | High Similarity | NPC118601 |
0.8851 | High Similarity | NPC258216 |
0.8824 | High Similarity | NPC178875 |
0.875 | High Similarity | NPC473331 |
0.8736 | High Similarity | NPC155215 |
0.8718 | High Similarity | NPC320537 |
0.8718 | High Similarity | NPC143979 |
0.8675 | High Similarity | NPC111409 |
0.8675 | High Similarity | NPC245665 |
0.8667 | High Similarity | NPC474313 |
0.8652 | High Similarity | NPC476053 |
0.8652 | High Similarity | NPC170120 |
0.8652 | High Similarity | NPC472873 |
0.8636 | High Similarity | NPC200237 |
0.8605 | High Similarity | NPC91248 |
0.8588 | High Similarity | NPC64153 |
0.8588 | High Similarity | NPC236692 |
0.8588 | High Similarity | NPC470242 |
0.8588 | High Similarity | NPC67493 |
0.8588 | High Similarity | NPC309757 |
0.8588 | High Similarity | NPC304558 |
0.8556 | High Similarity | NPC24956 |
0.8556 | High Similarity | NPC142529 |
0.8556 | High Similarity | NPC18019 |
0.8556 | High Similarity | NPC91771 |
0.8539 | High Similarity | NPC323008 |
0.8539 | High Similarity | NPC470010 |
0.8539 | High Similarity | NPC198853 |
0.8539 | High Similarity | NPC262133 |
0.8539 | High Similarity | NPC470013 |
0.8537 | High Similarity | NPC258965 |
0.8537 | High Similarity | NPC156658 |
0.8523 | High Similarity | NPC131209 |
0.8488 | Intermediate Similarity | NPC270270 |
0.8488 | Intermediate Similarity | NPC24728 |
0.8462 | Intermediate Similarity | NPC311904 |
0.8462 | Intermediate Similarity | NPC471150 |
0.8444 | Intermediate Similarity | NPC163228 |
0.8444 | Intermediate Similarity | NPC213698 |
0.8444 | Intermediate Similarity | NPC52044 |
0.8427 | Intermediate Similarity | NPC153590 |
0.8409 | Intermediate Similarity | NPC301969 |
0.8409 | Intermediate Similarity | NPC37607 |
0.8395 | Intermediate Similarity | NPC208223 |
0.8391 | Intermediate Similarity | NPC471149 |
0.837 | Intermediate Similarity | NPC249171 |
0.837 | Intermediate Similarity | NPC49833 |
0.8333 | Intermediate Similarity | NPC127019 |
0.8315 | Intermediate Similarity | NPC133698 |
0.8298 | Intermediate Similarity | NPC80144 |
0.8295 | Intermediate Similarity | NPC12872 |
0.8295 | Intermediate Similarity | NPC168679 |
0.8295 | Intermediate Similarity | NPC283409 |
0.8295 | Intermediate Similarity | NPC472872 |
0.828 | Intermediate Similarity | NPC471381 |
0.8261 | Intermediate Similarity | NPC161493 |
0.8261 | Intermediate Similarity | NPC181151 |
0.8242 | Intermediate Similarity | NPC67584 |
0.8242 | Intermediate Similarity | NPC304886 |
0.8222 | Intermediate Similarity | NPC308656 |
0.8222 | Intermediate Similarity | NPC473263 |
0.8222 | Intermediate Similarity | NPC135776 |
0.8222 | Intermediate Similarity | NPC475788 |
0.8222 | Intermediate Similarity | NPC473234 |
0.8222 | Intermediate Similarity | NPC60386 |
0.8222 | Intermediate Similarity | NPC473273 |
0.8191 | Intermediate Similarity | NPC150923 |
0.8191 | Intermediate Similarity | NPC171759 |
0.8182 | Intermediate Similarity | NPC224652 |
0.8172 | Intermediate Similarity | NPC45125 |
0.8172 | Intermediate Similarity | NPC221615 |
0.8152 | Intermediate Similarity | NPC213078 |
0.814 | Intermediate Similarity | NPC156485 |
0.8132 | Intermediate Similarity | NPC477131 |
0.8111 | Intermediate Similarity | NPC286341 |
0.8111 | Intermediate Similarity | NPC191339 |
0.8095 | Intermediate Similarity | NPC293418 |
0.8095 | Intermediate Similarity | NPC6823 |
0.8095 | Intermediate Similarity | NPC51507 |
0.8095 | Intermediate Similarity | NPC73052 |
0.8095 | Intermediate Similarity | NPC290508 |
0.809 | Intermediate Similarity | NPC4986 |
0.8085 | Intermediate Similarity | NPC186861 |
0.8068 | Intermediate Similarity | NPC201658 |
0.8068 | Intermediate Similarity | NPC186148 |
0.8068 | Intermediate Similarity | NPC190753 |
0.8065 | Intermediate Similarity | NPC236580 |
0.8065 | Intermediate Similarity | NPC304445 |
0.8046 | Intermediate Similarity | NPC235792 |
0.8023 | Intermediate Similarity | NPC54468 |
0.8021 | Intermediate Similarity | NPC473148 |
0.8 | Intermediate Similarity | NPC47635 |
0.8 | Intermediate Similarity | NPC67296 |
0.7978 | Intermediate Similarity | NPC58219 |
0.7978 | Intermediate Similarity | NPC177629 |
0.7976 | Intermediate Similarity | NPC470239 |
0.7976 | Intermediate Similarity | NPC182550 |
0.7976 | Intermediate Similarity | NPC470244 |
0.7975 | Intermediate Similarity | NPC5714 |
0.7957 | Intermediate Similarity | NPC474297 |
0.7955 | Intermediate Similarity | NPC162071 |
0.7917 | Intermediate Similarity | NPC86077 |
0.7895 | Intermediate Similarity | NPC70865 |
0.7889 | Intermediate Similarity | NPC295312 |
0.7889 | Intermediate Similarity | NPC268298 |
0.7889 | Intermediate Similarity | NPC92974 |
0.7889 | Intermediate Similarity | NPC32922 |
0.7882 | Intermediate Similarity | NPC276356 |
0.7882 | Intermediate Similarity | NPC74673 |
0.7882 | Intermediate Similarity | NPC69271 |
0.7872 | Intermediate Similarity | NPC213947 |
0.7872 | Intermediate Similarity | NPC170143 |
0.7872 | Intermediate Similarity | NPC108475 |
0.7857 | Intermediate Similarity | NPC54737 |
0.7857 | Intermediate Similarity | NPC44004 |
0.7849 | Intermediate Similarity | NPC167893 |
0.7841 | Intermediate Similarity | NPC165162 |
0.7826 | Intermediate Similarity | NPC472874 |
0.7816 | Intermediate Similarity | NPC250315 |
0.7802 | Intermediate Similarity | NPC474323 |
0.7802 | Intermediate Similarity | NPC129419 |
0.7802 | Intermediate Similarity | NPC206614 |
0.7778 | Intermediate Similarity | NPC202672 |
0.7766 | Intermediate Similarity | NPC476009 |
0.7766 | Intermediate Similarity | NPC126156 |
0.7753 | Intermediate Similarity | NPC475019 |
0.7753 | Intermediate Similarity | NPC238593 |
0.7753 | Intermediate Similarity | NPC474949 |
0.7727 | Intermediate Similarity | NPC191476 |
0.7727 | Intermediate Similarity | NPC114979 |
0.7727 | Intermediate Similarity | NPC474780 |
0.7717 | Intermediate Similarity | NPC208886 |
0.7717 | Intermediate Similarity | NPC12172 |
0.7701 | Intermediate Similarity | NPC89555 |
0.77 | Intermediate Similarity | NPC68248 |
0.7692 | Intermediate Similarity | NPC116620 |
0.7677 | Intermediate Similarity | NPC166115 |
0.7677 | Intermediate Similarity | NPC243998 |
0.7667 | Intermediate Similarity | NPC160138 |
0.7667 | Intermediate Similarity | NPC237540 |
0.766 | Intermediate Similarity | NPC475900 |
0.7653 | Intermediate Similarity | NPC221421 |
0.7653 | Intermediate Similarity | NPC124881 |
0.764 | Intermediate Similarity | NPC329749 |
0.764 | Intermediate Similarity | NPC255307 |
0.7634 | Intermediate Similarity | NPC179746 |
0.7634 | Intermediate Similarity | NPC125674 |
0.7634 | Intermediate Similarity | NPC81419 |
0.7634 | Intermediate Similarity | NPC475838 |
0.7634 | Intermediate Similarity | NPC475912 |
0.7634 | Intermediate Similarity | NPC228451 |
0.7624 | Intermediate Similarity | NPC139838 |
0.7624 | Intermediate Similarity | NPC59489 |
0.7609 | Intermediate Similarity | NPC106510 |
0.7609 | Intermediate Similarity | NPC475855 |
0.7609 | Intermediate Similarity | NPC71533 |
0.7579 | Intermediate Similarity | NPC284518 |
0.7558 | Intermediate Similarity | NPC19841 |
0.7558 | Intermediate Similarity | NPC89128 |
0.7556 | Intermediate Similarity | NPC85698 |
0.7556 | Intermediate Similarity | NPC305475 |
0.7556 | Intermediate Similarity | NPC475461 |
0.7556 | Intermediate Similarity | NPC474762 |
0.7556 | Intermediate Similarity | NPC476015 |
0.7553 | Intermediate Similarity | NPC81386 |
0.7553 | Intermediate Similarity | NPC474247 |
0.7553 | Intermediate Similarity | NPC225474 |
0.7553 | Intermediate Similarity | NPC474338 |
0.7553 | Intermediate Similarity | NPC24861 |
0.7553 | Intermediate Similarity | NPC148000 |
0.7553 | Intermediate Similarity | NPC474035 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC194859 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.809 | Intermediate Similarity | NPD1695 | Approved |
0.7474 | Intermediate Similarity | NPD1698 | Clinical (unspecified phase) |
0.7426 | Intermediate Similarity | NPD7899 | Clinical (unspecified phase) |
0.7174 | Intermediate Similarity | NPD4249 | Approved |
0.7097 | Intermediate Similarity | NPD4250 | Approved |
0.7097 | Intermediate Similarity | NPD4251 | Approved |
0.7053 | Intermediate Similarity | NPD5785 | Approved |
0.7048 | Intermediate Similarity | NPD6371 | Approved |
0.7033 | Intermediate Similarity | NPD5362 | Discontinued |
0.6882 | Remote Similarity | NPD5363 | Approved |
0.6882 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6882 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6759 | Remote Similarity | NPD6053 | Discontinued |
0.6739 | Remote Similarity | NPD4269 | Approved |
0.6739 | Remote Similarity | NPD4270 | Approved |
0.6703 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6701 | Remote Similarity | NPD6698 | Approved |
0.6701 | Remote Similarity | NPD46 | Approved |
0.6667 | Remote Similarity | NPD7639 | Approved |
0.6667 | Remote Similarity | NPD7154 | Phase 3 |
0.6667 | Remote Similarity | NPD7640 | Approved |
0.6632 | Remote Similarity | NPD5786 | Approved |
0.663 | Remote Similarity | NPD4790 | Discontinued |
0.663 | Remote Similarity | NPD5369 | Approved |
0.6569 | Remote Similarity | NPD7638 | Approved |
0.6559 | Remote Similarity | NPD6435 | Approved |
0.6522 | Remote Similarity | NPD4822 | Approved |
0.6522 | Remote Similarity | NPD4819 | Approved |
0.6522 | Remote Similarity | NPD4821 | Approved |
0.6522 | Remote Similarity | NPD4252 | Approved |
0.6522 | Remote Similarity | NPD4820 | Approved |
0.6489 | Remote Similarity | NPD5332 | Approved |
0.6489 | Remote Similarity | NPD5331 | Approved |
0.6484 | Remote Similarity | NPD4271 | Approved |
0.6484 | Remote Similarity | NPD4268 | Approved |
0.6364 | Remote Similarity | NPD7838 | Discovery |
0.6354 | Remote Similarity | NPD1694 | Approved |
0.6344 | Remote Similarity | NPD5368 | Approved |
0.6337 | Remote Similarity | NPD5282 | Discontinued |
0.6304 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.63 | Remote Similarity | NPD7983 | Approved |
0.625 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD4225 | Approved |
0.6239 | Remote Similarity | NPD6686 | Approved |
0.6238 | Remote Similarity | NPD6399 | Phase 3 |
0.6238 | Remote Similarity | NPD5779 | Approved |
0.6238 | Remote Similarity | NPD5778 | Approved |
0.6226 | Remote Similarity | NPD7632 | Discontinued |
0.622 | Remote Similarity | NPD3198 | Approved |
0.6216 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6204 | Remote Similarity | NPD6008 | Approved |
0.6139 | Remote Similarity | NPD8035 | Phase 2 |
0.6139 | Remote Similarity | NPD8034 | Phase 2 |
0.6042 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.602 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD6903 | Approved |
0.5981 | Remote Similarity | NPD5344 | Discontinued |
0.598 | Remote Similarity | NPD7637 | Suspended |
0.5979 | Remote Similarity | NPD4788 | Approved |
0.5965 | Remote Similarity | NPD8133 | Approved |
0.596 | Remote Similarity | NPD7334 | Approved |
0.596 | Remote Similarity | NPD5330 | Approved |
0.596 | Remote Similarity | NPD6409 | Approved |
0.596 | Remote Similarity | NPD7146 | Approved |
0.596 | Remote Similarity | NPD6684 | Approved |
0.596 | Remote Similarity | NPD7521 | Approved |
0.5957 | Remote Similarity | NPD4802 | Phase 2 |
0.5957 | Remote Similarity | NPD4238 | Approved |
0.5948 | Remote Similarity | NPD7115 | Discovery |
0.5918 | Remote Similarity | NPD3665 | Phase 1 |
0.5918 | Remote Similarity | NPD3666 | Approved |
0.5918 | Remote Similarity | NPD3133 | Approved |
0.5876 | Remote Similarity | NPD3667 | Approved |
0.5856 | Remote Similarity | NPD5697 | Approved |
0.5856 | Remote Similarity | NPD6412 | Phase 2 |
0.5849 | Remote Similarity | NPD6084 | Phase 2 |
0.5849 | Remote Similarity | NPD6083 | Phase 2 |
0.5842 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5826 | Remote Similarity | NPD4632 | Approved |
0.582 | Remote Similarity | NPD7507 | Approved |
0.581 | Remote Similarity | NPD5695 | Phase 3 |
0.5804 | Remote Similarity | NPD7320 | Approved |
0.5804 | Remote Similarity | NPD6881 | Approved |
0.5804 | Remote Similarity | NPD6011 | Approved |
0.5804 | Remote Similarity | NPD6899 | Approved |
0.58 | Remote Similarity | NPD3618 | Phase 1 |
0.5794 | Remote Similarity | NPD5696 | Approved |
0.5789 | Remote Similarity | NPD6649 | Approved |
0.5789 | Remote Similarity | NPD6650 | Approved |
0.5784 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5784 | Remote Similarity | NPD6101 | Approved |
0.5766 | Remote Similarity | NPD5739 | Approved |
0.5766 | Remote Similarity | NPD7128 | Approved |
0.5766 | Remote Similarity | NPD6402 | Approved |
0.5766 | Remote Similarity | NPD6675 | Approved |
0.576 | Remote Similarity | NPD6007 | Clinical (unspecified phase) |
0.5758 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5758 | Remote Similarity | NPD4786 | Approved |
0.5755 | Remote Similarity | NPD7839 | Suspended |
0.5752 | Remote Similarity | NPD6014 | Approved |
0.5752 | Remote Similarity | NPD6012 | Approved |
0.5752 | Remote Similarity | NPD6373 | Approved |
0.5752 | Remote Similarity | NPD6013 | Approved |
0.5752 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5752 | Remote Similarity | NPD6372 | Approved |
0.575 | Remote Similarity | NPD8517 | Approved |
0.575 | Remote Similarity | NPD8516 | Approved |
0.575 | Remote Similarity | NPD8515 | Approved |
0.575 | Remote Similarity | NPD8513 | Phase 3 |
0.5741 | Remote Similarity | NPD6648 | Approved |
0.5738 | Remote Similarity | NPD7492 | Approved |
0.5728 | Remote Similarity | NPD5207 | Approved |
0.5714 | Remote Similarity | NPD5701 | Approved |
0.5702 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.5702 | Remote Similarity | NPD6883 | Approved |
0.5702 | Remote Similarity | NPD7290 | Approved |
0.5702 | Remote Similarity | NPD7102 | Approved |
0.5691 | Remote Similarity | NPD6616 | Approved |
0.568 | Remote Similarity | NPD7319 | Approved |
0.5678 | Remote Similarity | NPD6009 | Approved |
0.5673 | Remote Similarity | NPD6411 | Approved |
0.5673 | Remote Similarity | NPD5284 | Approved |
0.5673 | Remote Similarity | NPD5281 | Approved |
0.5673 | Remote Similarity | NPD5693 | Phase 1 |
0.5669 | Remote Similarity | NPD6845 | Suspended |
0.5667 | Remote Similarity | NPD6054 | Approved |
0.5667 | Remote Similarity | NPD6319 | Approved |
0.5664 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.566 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.5657 | Remote Similarity | NPD6695 | Phase 3 |
0.5652 | Remote Similarity | NPD6869 | Approved |
0.5652 | Remote Similarity | NPD8130 | Phase 1 |
0.5652 | Remote Similarity | NPD6847 | Approved |
0.5652 | Remote Similarity | NPD6617 | Approved |
0.5645 | Remote Similarity | NPD7078 | Approved |
0.5644 | Remote Similarity | NPD5279 | Phase 3 |
0.5636 | Remote Similarity | NPD5211 | Phase 2 |
0.5631 | Remote Similarity | NPD5370 | Suspended |
0.562 | Remote Similarity | NPD5983 | Phase 2 |
0.562 | Remote Similarity | NPD8267 | Approved |
0.562 | Remote Similarity | NPD6291 | Clinical (unspecified phase) |
0.562 | Remote Similarity | NPD8269 | Approved |
0.562 | Remote Similarity | NPD6015 | Approved |
0.562 | Remote Similarity | NPD8266 | Approved |
0.562 | Remote Similarity | NPD8268 | Approved |
0.562 | Remote Similarity | NPD6016 | Approved |
0.5619 | Remote Similarity | NPD4202 | Approved |
0.5603 | Remote Similarity | NPD8297 | Approved |
0.5603 | Remote Similarity | NPD6882 | Approved |
0.56 | Remote Similarity | NPD7736 | Approved |
PubChem CID   | 470970 |
ChEMBL   | CHEMBL461700 |
ZINC   |
Molecular Weight:   | 246.13 |
ALogP:   | 1.0824 |
MLogP:   | 2.78 |
XLogP:   | 1.054 |
# Rotatable Bonds:   | 1 |
Polar Surface Area:   | 46.53 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 3 |
# Heavy Atoms:   | 18 |