Drug ID:   | NPD1710 |
Drug Name:   | Pronetalol |
Molecular Formula:   | C15H19NO |
Canonical SMILES:   | CC(NCC(c1ccc2c(c1)cccc2)O)C |
Standard InCHI:   | InChI=1S/C15H19NO/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3 |
Standard InCHIKey:   | HRSANNODOVBCST-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
High Similarity | 0.8649 | NPC226778 |
High Similarity | 0.8649 | NPC304761 |
High Similarity | 0.8649 | NPC147000 |
High Similarity | 0.8649 | NPC150254 |
Intermediate Similarity | 0.8468 | NPC327226 |
Intermediate Similarity | 0.8214 | NPC214200 |
Intermediate Similarity | 0.8214 | NPC228400 |
Intermediate Similarity | 0.8198 | NPC303611 |
Intermediate Similarity | 0.8198 | NPC290515 |
Intermediate Similarity | 0.8198 | NPC164514 |
Intermediate Similarity | 0.8198 | NPC108606 |
Intermediate Similarity | 0.8198 | NPC226096 |
Intermediate Similarity | 0.8047 | NPC40488 |
Intermediate Similarity | 0.7966 | NPC65855 |
Intermediate Similarity | 0.7966 | NPC292758 |
Intermediate Similarity | 0.7928 | NPC20142 |
Intermediate Similarity | 0.7928 | NPC215351 |
Intermediate Similarity | 0.7815 | NPC24777 |
Intermediate Similarity | 0.7748 | NPC128645 |
Intermediate Similarity | 0.763 | NPC478140 |
Intermediate Similarity | 0.76 | NPC137096 |
Intermediate Similarity | 0.7581 | NPC213 |
Intermediate Similarity | 0.7581 | NPC10286 |
Intermediate Similarity | 0.7479 | NPC211551 |
Intermediate Similarity | 0.7477 | NPC199567 |
Intermediate Similarity | 0.7462 | NPC307020 |
Intermediate Similarity | 0.7422 | NPC326232 |
Intermediate Similarity | 0.7407 | NPC149379 |
Intermediate Similarity | 0.7333 | NPC243601 |
Intermediate Similarity | 0.7311 | NPC19856 |
Intermediate Similarity | 0.7302 | NPC101139 |
Intermediate Similarity | 0.7293 | NPC322366 |
Intermediate Similarity | 0.7266 | NPC318591 |
Intermediate Similarity | 0.7266 | NPC231163 |
Intermediate Similarity | 0.7213 | NPC472980 |
Intermediate Similarity | 0.7213 | NPC27252 |
Intermediate Similarity | 0.7213 | NPC472979 |
Intermediate Similarity | 0.7174 | NPC293377 |
Intermediate Similarity | 0.7174 | NPC79465 |
Intermediate Similarity | 0.7174 | NPC260045 |
Intermediate Similarity | 0.7174 | NPC476102 |
Intermediate Similarity | 0.7174 | NPC76785 |
Intermediate Similarity | 0.7174 | NPC9687 |
Intermediate Similarity | 0.7174 | NPC118099 |
Intermediate Similarity | 0.7174 | NPC475318 |
Intermediate Similarity | 0.7174 | NPC151706 |
Intermediate Similarity | 0.7174 | NPC273907 |
Intermediate Similarity | 0.7174 | NPC474811 |
Intermediate Similarity | 0.7174 | NPC475598 |
Intermediate Similarity | 0.7174 | NPC474855 |
Intermediate Similarity | 0.7174 | NPC474787 |
Intermediate Similarity | 0.7174 | NPC90194 |
Intermediate Similarity | 0.7174 | NPC49577 |
Intermediate Similarity | 0.7168 | NPC1793 |
Intermediate Similarity | 0.7154 | NPC472982 |
Intermediate Similarity | 0.7154 | NPC149455 |
Intermediate Similarity | 0.7154 | NPC64642 |
Intermediate Similarity | 0.7143 | NPC316797 |
Intermediate Similarity | 0.7143 | NPC469481 |
Intermediate Similarity | 0.7132 | NPC89769 |
Intermediate Similarity | 0.7132 | NPC126859 |
Intermediate Similarity | 0.7132 | NPC259665 |
Intermediate Similarity | 0.7111 | NPC268763 |
Intermediate Similarity | 0.7111 | NPC66177 |
Intermediate Similarity | 0.7111 | NPC8305 |
Intermediate Similarity | 0.7101 | NPC132847 |
Intermediate Similarity | 0.7099 | NPC273830 |
Intermediate Similarity | 0.7099 | NPC316896 |
Intermediate Similarity | 0.7097 | NPC290566 |
Intermediate Similarity | 0.7097 | NPC145638 |
Intermediate Similarity | 0.7094 | NPC21959 |
Intermediate Similarity | 0.7068 | NPC285394 |
Intermediate Similarity | 0.7054 | NPC93843 |
Intermediate Similarity | 0.7049 | NPC471133 |
Intermediate Similarity | 0.7037 | NPC323775 |
Intermediate Similarity | 0.7037 | NPC236347 |
Intermediate Similarity | 0.7029 | NPC208757 |
Intermediate Similarity | 0.7027 | NPC304538 |
Intermediate Similarity | 0.702 | NPC29647 |
Intermediate Similarity | 0.7015 | NPC474479 |
Intermediate Similarity | 0.7 | NPC289117 |
Remote Similarity | 0.6984 | NPC471188 |
Remote Similarity | 0.6984 | NPC111108 |
Remote Similarity | 0.6983 | NPC314690 |
Remote Similarity | 0.6974 | NPC79328 |
Remote Similarity | 0.6972 | NPC170170 |
Remote Similarity | 0.6972 | NPC211468 |
Remote Similarity | 0.6972 | NPC219233 |
Remote Similarity | 0.6967 | NPC238696 |
Remote Similarity | 0.6967 | NPC315794 |
Remote Similarity | 0.6964 | NPC474354 |
Remote Similarity | 0.6937 | NPC172984 |
Remote Similarity | 0.6934 | NPC124802 |
Remote Similarity | 0.6923 | NPC168861 |
Remote Similarity | 0.6923 | NPC195392 |
Remote Similarity | 0.6923 | NPC323123 |
Remote Similarity | 0.6906 | NPC313663 |
Remote Similarity | 0.6905 | NPC133308 |
Remote Similarity | 0.6903 | NPC474211 |
Remote Similarity | 0.6897 | NPC79917 |
Remote Similarity | 0.6885 | NPC68055 |
Remote Similarity | 0.6875 | NPC168855 |
Remote Similarity | 0.6875 | NPC204546 |
Remote Similarity | 0.6861 | NPC469666 |
Remote Similarity | 0.6847 | NPC99394 |
Remote Similarity | 0.6847 | NPC103326 |
Remote Similarity | 0.6847 | NPC329319 |
Remote Similarity | 0.6847 | NPC87299 |
Remote Similarity | 0.6838 | NPC136112 |
Remote Similarity | 0.6838 | NPC320242 |
Remote Similarity | 0.6838 | NPC141739 |
Remote Similarity | 0.6825 | NPC58865 |
Remote Similarity | 0.6795 | NPC233650 |
Remote Similarity | 0.6791 | NPC109151 |
Remote Similarity | 0.6786 | NPC300020 |
Remote Similarity | 0.6786 | NPC33338 |
Remote Similarity | 0.6786 | NPC302171 |
Remote Similarity | 0.6783 | NPC214988 |
Remote Similarity | 0.6777 | NPC125732 |
Remote Similarity | 0.6774 | NPC67043 |
Remote Similarity | 0.6772 | NPC132720 |
Remote Similarity | 0.6757 | NPC117180 |
Remote Similarity | 0.6752 | NPC134858 |
Remote Similarity | 0.6752 | NPC209377 |
Remote Similarity | 0.6752 | NPC220596 |
Remote Similarity | 0.6752 | NPC169743 |
Remote Similarity | 0.675 | NPC324602 |
Remote Similarity | 0.6746 | NPC262365 |
Remote Similarity | 0.6744 | NPC1986 |
Remote Similarity | 0.6744 | NPC474544 |
Remote Similarity | 0.6742 | NPC85276 |
Remote Similarity | 0.6736 | NPC150712 |
Remote Similarity | 0.6733 | NPC60538 |
Remote Similarity | 0.6733 | NPC207824 |
Remote Similarity | 0.6723 | NPC329430 |
Remote Similarity | 0.6721 | NPC289381 |
Remote Similarity | 0.6721 | NPC155847 |
Remote Similarity | 0.6719 | NPC269340 |
Remote Similarity | 0.6718 | NPC92 |
Remote Similarity | 0.6718 | NPC469663 |
Remote Similarity | 0.6718 | NPC472862 |
Remote Similarity | 0.6715 | NPC318965 |
Remote Similarity | 0.6715 | NPC278097 |
Remote Similarity | 0.6709 | NPC223077 |
Remote Similarity | 0.6709 | NPC56887 |
Remote Similarity | 0.6709 | NPC193853 |
Remote Similarity | 0.6696 | NPC475199 |
Remote Similarity | 0.6696 | NPC283012 |
Remote Similarity | 0.6696 | NPC211237 |
Remote Similarity | 0.6695 | NPC265521 |
Remote Similarity | 0.6694 | NPC56168 |
Remote Similarity | 0.6692 | NPC283760 |
Remote Similarity | 0.6667 | NPC247018 |
Remote Similarity | 0.6667 | NPC99482 |
Remote Similarity | 0.6667 | NPC307123 |
Remote Similarity | 0.6667 | NPC210140 |
Remote Similarity | 0.6667 | NPC97870 |
Remote Similarity | 0.6667 | NPC46940 |
Remote Similarity | 0.6667 | NPC477136 |
Remote Similarity | 0.6667 | NPC150879 |
Remote Similarity | 0.6645 | NPC76213 |
Remote Similarity | 0.6645 | NPC277669 |
Remote Similarity | 0.6642 | NPC321133 |
Remote Similarity | 0.6642 | NPC115627 |
Remote Similarity | 0.6642 | NPC169207 |
Remote Similarity | 0.6642 | NPC472414 |
Remote Similarity | 0.6642 | NPC118522 |
Remote Similarity | 0.6641 | NPC44732 |
Remote Similarity | 0.664 | NPC117115 |
Remote Similarity | 0.662 | NPC267237 |
Remote Similarity | 0.662 | NPC474473 |
Remote Similarity | 0.6619 | NPC295478 |
Remote Similarity | 0.6618 | NPC35996 |
Remote Similarity | 0.6618 | NPC472415 |
Remote Similarity | 0.6615 | NPC196673 |
Remote Similarity | 0.6615 | NPC169616 |
Remote Similarity | 0.6615 | NPC715 |
Remote Similarity | 0.6612 | NPC33168 |
Remote Similarity | 0.6607 | NPC133050 |
Remote Similarity | 0.6604 | NPC35627 |
Remote Similarity | 0.6604 | NPC476573 |
Remote Similarity | 0.6604 | NPC81247 |
Remote Similarity | 0.6601 | NPC26601 |
Remote Similarity | 0.6599 | NPC473922 |
Remote Similarity | 0.6596 | NPC42423 |
Remote Similarity | 0.6594 | NPC65310 |
Remote Similarity | 0.6593 | NPC71684 |
Remote Similarity | 0.6591 | NPC477137 |
Remote Similarity | 0.6591 | NPC308311 |
Remote Similarity | 0.6591 | NPC212891 |
Remote Similarity | 0.6591 | NPC38893 |
Remote Similarity | 0.6591 | NPC82963 |
Remote Similarity | 0.6591 | NPC2265 |
Remote Similarity | 0.6591 | NPC219112 |
Remote Similarity | 0.6589 | NPC308689 |
Remote Similarity | 0.6589 | NPC95716 |
Remote Similarity | 0.6589 | NPC66208 |
Remote Similarity | 0.6589 | NPC151537 |
Remote Similarity | 0.6585 | NPC294741 |
Remote Similarity | 0.6583 | NPC58674 |
Molecular Weight   | 229.15 |
ALogP   | -0.8673 |
MLogP   | 2.89 |
XLogP   | 4.819 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 7 |
TPSA   | 32.26 |
RO5 Violation   | 0 |