Drug ID:   | NPD2379 |
Drug Name:   | |
Molecular Formula:   | C17H16ClNO4 |
Canonical SMILES:   | COc1ccc(cc1C(=NCCc1ccc(cc1)C(=O)O)O)Cl |
Standard InCHI:   | InChI=1S/C17H16ClNO4/c1-23-15-7-6-13(18)10-14(15)16(20)19-9-8-11-2-4-12(5-3-11)17(21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H,21,22) |
Standard InCHIKey:   | SWLAMJPTOQZTAE-UHFFFAOYSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
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 |
---|---|---|
Intermediate Similarity | 0.7806 | NPC471316 |
Intermediate Similarity | 0.7443 | NPC45112 |
Intermediate Similarity | 0.7443 | NPC134413 |
Intermediate Similarity | 0.7443 | NPC271958 |
Intermediate Similarity | 0.7443 | NPC263507 |
Intermediate Similarity | 0.7442 | NPC269383 |
Intermediate Similarity | 0.7442 | NPC151030 |
Intermediate Similarity | 0.7384 | NPC208280 |
Intermediate Similarity | 0.7375 | NPC86087 |
Intermediate Similarity | 0.7355 | NPC238309 |
Intermediate Similarity | 0.7333 | NPC153644 |
Intermediate Similarity | 0.7325 | NPC66643 |
Intermediate Similarity | 0.732 | NPC4164 |
Intermediate Similarity | 0.7317 | NPC290404 |
Intermediate Similarity | 0.7315 | NPC43275 |
Intermediate Similarity | 0.7278 | NPC472591 |
Intermediate Similarity | 0.7263 | NPC86678 |
Intermediate Similarity | 0.7257 | NPC49315 |
Intermediate Similarity | 0.7239 | NPC182475 |
Intermediate Similarity | 0.7229 | NPC470019 |
Intermediate Similarity | 0.7229 | NPC161544 |
Intermediate Similarity | 0.7216 | NPC227778 |
Intermediate Similarity | 0.7207 | NPC470422 |
Intermediate Similarity | 0.7181 | NPC45104 |
Intermediate Similarity | 0.716 | NPC58661 |
Intermediate Similarity | 0.7152 | NPC470392 |
Intermediate Similarity | 0.7152 | NPC313414 |
Intermediate Similarity | 0.7151 | NPC188618 |
Intermediate Similarity | 0.7143 | NPC478189 |
Intermediate Similarity | 0.7143 | NPC56332 |
Intermediate Similarity | 0.7124 | NPC151237 |
Intermediate Similarity | 0.7107 | NPC470160 |
Intermediate Similarity | 0.7107 | NPC112192 |
Intermediate Similarity | 0.7107 | NPC309717 |
Intermediate Similarity | 0.7107 | NPC66384 |
Intermediate Similarity | 0.7107 | NPC189106 |
Intermediate Similarity | 0.7107 | NPC128348 |
Intermediate Similarity | 0.7107 | NPC164236 |
Intermediate Similarity | 0.7104 | NPC232872 |
Intermediate Similarity | 0.7091 | NPC80928 |
Intermediate Similarity | 0.7089 | NPC30390 |
Intermediate Similarity | 0.7089 | NPC45191 |
Intermediate Similarity | 0.7073 | NPC109232 |
Intermediate Similarity | 0.707 | NPC2596 |
Intermediate Similarity | 0.7041 | NPC55327 |
Intermediate Similarity | 0.7039 | NPC9475 |
Intermediate Similarity | 0.7039 | NPC474874 |
Intermediate Similarity | 0.7032 | NPC89630 |
Intermediate Similarity | 0.7024 | NPC163846 |
Intermediate Similarity | 0.7024 | NPC225173 |
Intermediate Similarity | 0.7019 | NPC27643 |
Intermediate Similarity | 0.7019 | NPC274876 |
Intermediate Similarity | 0.7018 | NPC212699 |
Intermediate Similarity | 0.7018 | NPC207675 |
Intermediate Similarity | 0.7013 | NPC311219 |
Intermediate Similarity | 0.7013 | NPC471314 |
Intermediate Similarity | 0.7013 | NPC471315 |
Intermediate Similarity | 0.7006 | NPC71525 |
Intermediate Similarity | 0.7006 | NPC132771 |
Intermediate Similarity | 0.7006 | NPC121104 |
Intermediate Similarity | 0.7 | NPC470565 |
Intermediate Similarity | 0.7 | NPC169766 |
Intermediate Similarity | 0.7 | NPC277865 |
Intermediate Similarity | 0.7 | NPC475009 |
Intermediate Similarity | 0.7 | NPC186097 |
Intermediate Similarity | 0.7 | NPC475008 |
Remote Similarity | 0.6995 | NPC474498 |
Remote Similarity | 0.6995 | NPC28160 |
Remote Similarity | 0.6994 | NPC213603 |
Remote Similarity | 0.6994 | NPC24394 |
Remote Similarity | 0.6989 | NPC472157 |
Remote Similarity | 0.6988 | NPC250755 |
Remote Similarity | 0.6987 | NPC29477 |
Remote Similarity | 0.6983 | NPC472032 |
Remote Similarity | 0.6982 | NPC125801 |
Remote Similarity | 0.6981 | NPC245395 |
Remote Similarity | 0.6981 | NPC247779 |
Remote Similarity | 0.6981 | NPC12694 |
Remote Similarity | 0.6981 | NPC2989 |
Remote Similarity | 0.6975 | NPC286336 |
Remote Similarity | 0.6966 | NPC68850 |
Remote Similarity | 0.6957 | NPC287533 |
Remote Similarity | 0.6954 | NPC240664 |
Remote Similarity | 0.6951 | NPC23870 |
Remote Similarity | 0.6946 | NPC17760 |
Remote Similarity | 0.6943 | NPC476353 |
Remote Similarity | 0.6941 | NPC2569 |
Remote Similarity | 0.6941 | NPC172329 |
Remote Similarity | 0.6933 | NPC188907 |
Remote Similarity | 0.6933 | NPC131039 |
Remote Similarity | 0.6928 | NPC233282 |
Remote Similarity | 0.6923 | NPC25844 |
Remote Similarity | 0.6923 | NPC470162 |
Remote Similarity | 0.6923 | NPC6888 |
Remote Similarity | 0.6923 | NPC60389 |
Remote Similarity | 0.6923 | NPC470163 |
Remote Similarity | 0.6923 | NPC211565 |
Remote Similarity | 0.6914 | NPC472365 |
Remote Similarity | 0.6914 | NPC139813 |
Remote Similarity | 0.6914 | NPC28753 |
Remote Similarity | 0.6914 | NPC82225 |
Remote Similarity | 0.6914 | NPC242294 |
Remote Similarity | 0.6914 | NPC159623 |
Remote Similarity | 0.6914 | NPC188646 |
Remote Similarity | 0.6914 | NPC337373 |
Remote Similarity | 0.6914 | NPC20560 |
Remote Similarity | 0.6914 | NPC175098 |
Remote Similarity | 0.6914 | NPC294593 |
Remote Similarity | 0.6914 | NPC192304 |
Remote Similarity | 0.6914 | NPC263670 |
Remote Similarity | 0.6914 | NPC312318 |
Remote Similarity | 0.6914 | NPC18877 |
Remote Similarity | 0.6914 | NPC56031 |
Remote Similarity | 0.6914 | NPC204960 |
Remote Similarity | 0.6914 | NPC144051 |
Remote Similarity | 0.6909 | NPC21350 |
Remote Similarity | 0.6899 | NPC296712 |
Remote Similarity | 0.6899 | NPC264428 |
Remote Similarity | 0.6894 | NPC266425 |
Remote Similarity | 0.6894 | NPC76453 |
Remote Similarity | 0.6894 | NPC273984 |
Remote Similarity | 0.6894 | NPC262359 |
Remote Similarity | 0.689 | NPC249606 |
Remote Similarity | 0.689 | NPC477243 |
Remote Similarity | 0.689 | NPC98115 |
Remote Similarity | 0.689 | NPC150399 |
Remote Similarity | 0.689 | NPC477244 |
Remote Similarity | 0.689 | NPC477242 |
Remote Similarity | 0.689 | NPC1486 |
Remote Similarity | 0.689 | NPC41461 |
Remote Similarity | 0.689 | NPC12165 |
Remote Similarity | 0.689 | NPC25287 |
Remote Similarity | 0.689 | NPC168105 |
Remote Similarity | 0.689 | NPC473391 |
Remote Similarity | 0.689 | NPC66349 |
Remote Similarity | 0.689 | NPC472364 |
Remote Similarity | 0.689 | NPC186838 |
Remote Similarity | 0.689 | NPC274109 |
Remote Similarity | 0.6889 | NPC198075 |
Remote Similarity | 0.6887 | NPC19290 |
Remote Similarity | 0.6887 | NPC128825 |
Remote Similarity | 0.6885 | NPC264922 |
Remote Similarity | 0.6883 | NPC165197 |
Remote Similarity | 0.6878 | NPC264938 |
Remote Similarity | 0.6875 | NPC469929 |
Remote Similarity | 0.6868 | NPC474857 |
Remote Similarity | 0.6867 | NPC183642 |
Remote Similarity | 0.6867 | NPC310370 |
Remote Similarity | 0.6867 | NPC477956 |
Remote Similarity | 0.6863 | NPC264976 |
Remote Similarity | 0.6863 | NPC328459 |
Remote Similarity | 0.6863 | NPC90522 |
Remote Similarity | 0.6852 | NPC205468 |
Remote Similarity | 0.6852 | NPC87231 |
Remote Similarity | 0.6852 | NPC129132 |
Remote Similarity | 0.6852 | NPC212631 |
Remote Similarity | 0.6852 | NPC257756 |
Remote Similarity | 0.6848 | NPC472419 |
Remote Similarity | 0.6848 | NPC7013 |
Remote Similarity | 0.6848 | NPC116632 |
Remote Similarity | 0.6848 | NPC33011 |
Remote Similarity | 0.6848 | NPC477838 |
Remote Similarity | 0.6848 | NPC162680 |
Remote Similarity | 0.6848 | NPC181124 |
Remote Similarity | 0.6848 | NPC303644 |
Remote Similarity | 0.6848 | NPC477837 |
Remote Similarity | 0.6848 | NPC317119 |
Remote Similarity | 0.6848 | NPC45072 |
Remote Similarity | 0.6848 | NPC209560 |
Remote Similarity | 0.6848 | NPC294409 |
Remote Similarity | 0.6848 | NPC153979 |
Remote Similarity | 0.6845 | NPC1534 |
Remote Similarity | 0.6842 | NPC469954 |
Remote Similarity | 0.6842 | NPC217423 |
Remote Similarity | 0.6839 | NPC477691 |
Remote Similarity | 0.6839 | NPC25168 |
Remote Similarity | 0.6835 | NPC474264 |
Remote Similarity | 0.6832 | NPC11173 |
Remote Similarity | 0.6832 | NPC244866 |
Remote Similarity | 0.6829 | NPC156092 |
Remote Similarity | 0.6829 | NPC223616 |
Remote Similarity | 0.6829 | NPC13575 |
Remote Similarity | 0.6826 | NPC48624 |
Remote Similarity | 0.6826 | NPC204985 |
Remote Similarity | 0.6826 | NPC219917 |
Remote Similarity | 0.6826 | NPC259166 |
Remote Similarity | 0.6826 | NPC11056 |
Remote Similarity | 0.6826 | NPC80962 |
Remote Similarity | 0.6826 | NPC172250 |
Remote Similarity | 0.6826 | NPC213659 |
Remote Similarity | 0.6826 | NPC326109 |
Remote Similarity | 0.6826 | NPC215311 |
Remote Similarity | 0.6826 | NPC265178 |
Remote Similarity | 0.6826 | NPC144118 |
Remote Similarity | 0.6824 | NPC130176 |
Remote Similarity | 0.6824 | NPC469758 |
Remote Similarity | 0.6824 | NPC99454 |
Remote Similarity | 0.6824 | NPC196114 |
Remote Similarity | 0.6821 | NPC56635 |
Remote Similarity | 0.6821 | NPC39819 |
Molecular Weight   | 333.08 |
ALogP   | 0.4141 |
MLogP   | 2.67 |
XLogP   | 4.185 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 10 |
TPSA   | 79.12 |
RO5 Violation   | 0 |