Drug ID:   | NPD7538 |
Drug Name:   | |
Molecular Formula:   | C31H25FN2O3 |
Canonical SMILES:   | Fc1cccc(c1)CN(c1ccc(cc1)OCc1ccc2c(n1)cccc2)Cc1ccc(cc1)C(=O)O |
Standard InCHI:   | InChI=1S/C31H25FN2O3/c32-26-6-3-4-23(18-26)20-34(19-22-8-10-25(11-9-22)31(35)36)28-14-16-29(17-15-28)37-21-27-13-12-24-5-1-2-7-30(24)33-27/h1-18H,19-21H2,(H,35,36) |
Standard InCHIKey:   | KRCUWCAUDKTMPB-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 | 0.7933 | NPC193238 |
Intermediate Similarity | 0.7871 | NPC230403 |
Intermediate Similarity | 0.775 | NPC194040 |
Intermediate Similarity | 0.7679 | NPC329631 |
Intermediate Similarity | 0.7678 | NPC321428 |
Intermediate Similarity | 0.7596 | NPC280714 |
Intermediate Similarity | 0.758 | NPC472099 |
Intermediate Similarity | 0.7556 | NPC473186 |
Intermediate Similarity | 0.7532 | NPC208522 |
Intermediate Similarity | 0.7511 | NPC216612 |
Intermediate Similarity | 0.751 | NPC227824 |
Intermediate Similarity | 0.75 | NPC472098 |
Intermediate Similarity | 0.7489 | NPC39370 |
Intermediate Similarity | 0.7488 | NPC470020 |
Intermediate Similarity | 0.7468 | NPC161801 |
Intermediate Similarity | 0.7461 | NPC322644 |
Intermediate Similarity | 0.7444 | NPC473449 |
Intermediate Similarity | 0.7418 | NPC329708 |
Intermediate Similarity | 0.7418 | NPC47059 |
Intermediate Similarity | 0.7418 | NPC165349 |
Intermediate Similarity | 0.7418 | NPC118832 |
Intermediate Similarity | 0.7418 | NPC264166 |
Intermediate Similarity | 0.7418 | NPC274291 |
Intermediate Similarity | 0.7416 | NPC90229 |
Intermediate Similarity | 0.7414 | NPC291609 |
Intermediate Similarity | 0.7409 | NPC184408 |
Intermediate Similarity | 0.7387 | NPC280799 |
Intermediate Similarity | 0.7387 | NPC303225 |
Intermediate Similarity | 0.7385 | NPC316181 |
Intermediate Similarity | 0.7385 | NPC151781 |
Intermediate Similarity | 0.7385 | NPC74562 |
Intermediate Similarity | 0.7383 | NPC300156 |
Intermediate Similarity | 0.7379 | NPC144381 |
Intermediate Similarity | 0.7371 | NPC124300 |
Intermediate Similarity | 0.735 | NPC84347 |
Intermediate Similarity | 0.735 | NPC310618 |
Intermediate Similarity | 0.7333 | NPC470018 |
Intermediate Similarity | 0.733 | NPC96321 |
Intermediate Similarity | 0.733 | NPC174576 |
Intermediate Similarity | 0.7325 | NPC49547 |
Intermediate Similarity | 0.7313 | NPC283152 |
Intermediate Similarity | 0.7301 | NPC74575 |
Intermediate Similarity | 0.7301 | NPC157931 |
Intermediate Similarity | 0.7294 | NPC87413 |
Intermediate Similarity | 0.729 | NPC317572 |
Intermediate Similarity | 0.7282 | NPC66083 |
Intermediate Similarity | 0.7273 | NPC16066 |
Intermediate Similarity | 0.7273 | NPC15801 |
Intermediate Similarity | 0.7269 | NPC53344 |
Intermediate Similarity | 0.7268 | NPC26850 |
Intermediate Similarity | 0.7265 | NPC128115 |
Intermediate Similarity | 0.726 | NPC264176 |
Intermediate Similarity | 0.7249 | NPC474192 |
Intermediate Similarity | 0.7249 | NPC475720 |
Intermediate Similarity | 0.7248 | NPC269367 |
Intermediate Similarity | 0.7248 | NPC471304 |
Intermediate Similarity | 0.724 | NPC152768 |
Intermediate Similarity | 0.724 | NPC148183 |
Intermediate Similarity | 0.7235 | NPC470280 |
Intermediate Similarity | 0.7233 | NPC90415 |
Intermediate Similarity | 0.7227 | NPC39500 |
Intermediate Similarity | 0.7227 | NPC250448 |
Intermediate Similarity | 0.7225 | NPC257851 |
Intermediate Similarity | 0.7222 | NPC72905 |
Intermediate Similarity | 0.7222 | NPC45190 |
Intermediate Similarity | 0.7222 | NPC472111 |
Intermediate Similarity | 0.722 | NPC320394 |
Intermediate Similarity | 0.7208 | NPC118511 |
Intermediate Similarity | 0.7205 | NPC474688 |
Intermediate Similarity | 0.72 | NPC478141 |
Intermediate Similarity | 0.7193 | NPC274640 |
Intermediate Similarity | 0.719 | NPC129897 |
Intermediate Similarity | 0.7188 | NPC132642 |
Intermediate Similarity | 0.7185 | NPC165964 |
Intermediate Similarity | 0.7179 | NPC477066 |
Intermediate Similarity | 0.7179 | NPC475844 |
Intermediate Similarity | 0.7178 | NPC478083 |
Intermediate Similarity | 0.7171 | NPC243058 |
Intermediate Similarity | 0.7169 | NPC309845 |
Intermediate Similarity | 0.7168 | NPC205372 |
Intermediate Similarity | 0.7167 | NPC329982 |
Intermediate Similarity | 0.7163 | NPC183805 |
Intermediate Similarity | 0.7162 | NPC469928 |
Intermediate Similarity | 0.7149 | NPC478081 |
Intermediate Similarity | 0.7143 | NPC472286 |
Intermediate Similarity | 0.7143 | NPC472287 |
Intermediate Similarity | 0.7143 | NPC132385 |
Intermediate Similarity | 0.7137 | NPC478080 |
Intermediate Similarity | 0.7137 | NPC97746 |
Intermediate Similarity | 0.7136 | NPC187501 |
Intermediate Similarity | 0.7136 | NPC146418 |
Intermediate Similarity | 0.7136 | NPC203635 |
Intermediate Similarity | 0.713 | NPC477112 |
Intermediate Similarity | 0.713 | NPC312645 |
Intermediate Similarity | 0.713 | NPC475774 |
Intermediate Similarity | 0.7129 | NPC312872 |
Intermediate Similarity | 0.7124 | NPC144452 |
Intermediate Similarity | 0.7119 | NPC142385 |
Intermediate Similarity | 0.7117 | NPC118228 |
Intermediate Similarity | 0.7116 | NPC470586 |
Intermediate Similarity | 0.7113 | NPC26872 |
Intermediate Similarity | 0.7111 | NPC323969 |
Intermediate Similarity | 0.711 | NPC4687 |
Intermediate Similarity | 0.7101 | NPC42591 |
Intermediate Similarity | 0.7098 | NPC473041 |
Intermediate Similarity | 0.7098 | NPC131885 |
Intermediate Similarity | 0.7094 | NPC288943 |
Intermediate Similarity | 0.7093 | NPC314633 |
Intermediate Similarity | 0.7093 | NPC322482 |
Intermediate Similarity | 0.7083 | NPC137353 |
Intermediate Similarity | 0.7082 | NPC470017 |
Intermediate Similarity | 0.7082 | NPC473187 |
Intermediate Similarity | 0.7078 | NPC287208 |
Intermediate Similarity | 0.7078 | NPC470931 |
Intermediate Similarity | 0.7078 | NPC39679 |
Intermediate Similarity | 0.7076 | NPC477067 |
Intermediate Similarity | 0.7076 | NPC478082 |
Intermediate Similarity | 0.7075 | NPC276517 |
Intermediate Similarity | 0.7074 | NPC478078 |
Intermediate Similarity | 0.7072 | NPC317752 |
Intermediate Similarity | 0.7072 | NPC236668 |
Intermediate Similarity | 0.7071 | NPC177404 |
Intermediate Similarity | 0.7066 | NPC472435 |
Intermediate Similarity | 0.7064 | NPC475816 |
Intermediate Similarity | 0.7064 | NPC41501 |
Intermediate Similarity | 0.7061 | NPC21638 |
Intermediate Similarity | 0.7059 | NPC219848 |
Intermediate Similarity | 0.7056 | NPC102008 |
Intermediate Similarity | 0.7056 | NPC474916 |
Intermediate Similarity | 0.7056 | NPC260434 |
Intermediate Similarity | 0.7056 | NPC474701 |
Intermediate Similarity | 0.7053 | NPC207851 |
Intermediate Similarity | 0.7051 | NPC6786 |
Intermediate Similarity | 0.7051 | NPC470022 |
Intermediate Similarity | 0.7051 | NPC477587 |
Intermediate Similarity | 0.7051 | NPC477589 |
Intermediate Similarity | 0.7051 | NPC476098 |
Intermediate Similarity | 0.7051 | NPC476995 |
Intermediate Similarity | 0.7051 | NPC223427 |
Intermediate Similarity | 0.7048 | NPC210434 |
Intermediate Similarity | 0.7045 | NPC469589 |
Intermediate Similarity | 0.7043 | NPC471762 |
Intermediate Similarity | 0.704 | NPC237740 |
Intermediate Similarity | 0.704 | NPC477979 |
Intermediate Similarity | 0.704 | NPC146976 |
Intermediate Similarity | 0.7039 | NPC182222 |
Intermediate Similarity | 0.7037 | NPC472589 |
Intermediate Similarity | 0.7037 | NPC318068 |
Intermediate Similarity | 0.7035 | NPC225279 |
Intermediate Similarity | 0.7035 | NPC174760 |
Intermediate Similarity | 0.7035 | NPC150239 |
Intermediate Similarity | 0.7032 | NPC315545 |
Intermediate Similarity | 0.7032 | NPC314297 |
Intermediate Similarity | 0.7029 | NPC218388 |
Intermediate Similarity | 0.7029 | NPC17437 |
Intermediate Similarity | 0.7027 | NPC94157 |
Intermediate Similarity | 0.7027 | NPC318299 |
Intermediate Similarity | 0.7025 | NPC472588 |
Intermediate Similarity | 0.7024 | NPC256268 |
Intermediate Similarity | 0.7018 | NPC51388 |
Intermediate Similarity | 0.7012 | NPC316110 |
Intermediate Similarity | 0.7012 | NPC313587 |
Intermediate Similarity | 0.7012 | NPC473800 |
Intermediate Similarity | 0.7012 | NPC315893 |
Intermediate Similarity | 0.7008 | NPC258048 |
Intermediate Similarity | 0.7004 | NPC473540 |
Intermediate Similarity | 0.7004 | NPC198503 |
Intermediate Similarity | 0.7 | NPC140296 |
Intermediate Similarity | 0.7 | NPC82548 |
Remote Similarity | 0.6996 | NPC89508 |
Remote Similarity | 0.6992 | NPC477590 |
Remote Similarity | 0.6992 | NPC477588 |
Remote Similarity | 0.6992 | NPC477585 |
Remote Similarity | 0.6992 | NPC477586 |
Remote Similarity | 0.6991 | NPC298436 |
Remote Similarity | 0.6991 | NPC74360 |
Remote Similarity | 0.6987 | NPC179287 |
Remote Similarity | 0.6986 | NPC315638 |
Remote Similarity | 0.6986 | NPC313796 |
Remote Similarity | 0.6986 | NPC314855 |
Remote Similarity | 0.6986 | NPC317373 |
Remote Similarity | 0.6986 | NPC313345 |
Remote Similarity | 0.6983 | NPC476999 |
Remote Similarity | 0.6982 | NPC294375 |
Remote Similarity | 0.6981 | NPC114335 |
Remote Similarity | 0.6981 | NPC280964 |
Remote Similarity | 0.6981 | NPC141915 |
Remote Similarity | 0.698 | NPC472436 |
Remote Similarity | 0.6977 | NPC472284 |
Remote Similarity | 0.6975 | NPC316224 |
Remote Similarity | 0.697 | NPC311906 |
Remote Similarity | 0.697 | NPC476997 |
Remote Similarity | 0.697 | NPC194740 |
Remote Similarity | 0.6965 | NPC41717 |
Remote Similarity | 0.6962 | NPC210296 |
Remote Similarity | 0.696 | NPC469439 |
Remote Similarity | 0.696 | NPC54066 |
Remote Similarity | 0.6957 | NPC206201 |
Remote Similarity | 0.6955 | NPC270918 |
Remote Similarity | 0.6955 | NPC249583 |
Molecular Weight   | 492.18 |
ALogP   | 0.1338 |
MLogP   | 4.21 |
XLogP   | 8.589 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 11 |
TPSA   | 62.66 |
RO5 Violation   | 1 |