Drug ID:   | NPD5512 |
Drug Name:   | Veliflapon |
Molecular Formula:   | C23H23NO3 |
Canonical SMILES:   | OC(=O)[C@@H](c1ccc(cc1)OCc1ccc2c(n1)cccc2)C1CCCC1 |
Standard InCHI:   | InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1 |
Standard InCHIKey:   | ZEYYDOLCHFETHQ-JOCHJYFZSA-N |
Max Developmental Stage:   | Phase 3 |
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 |
---|---|---|
Intermediate Similarity | 0.8077 | NPC312872 |
Intermediate Similarity | 0.8068 | NPC26850 |
Intermediate Similarity | 0.801 | NPC230403 |
Intermediate Similarity | 0.7989 | NPC283152 |
Intermediate Similarity | 0.7979 | NPC194040 |
Intermediate Similarity | 0.7968 | NPC320394 |
Intermediate Similarity | 0.7957 | NPC206201 |
Intermediate Similarity | 0.7898 | NPC26872 |
Intermediate Similarity | 0.7889 | NPC118511 |
Intermediate Similarity | 0.7884 | NPC204385 |
Intermediate Similarity | 0.7824 | NPC475190 |
Intermediate Similarity | 0.7822 | NPC87413 |
Intermediate Similarity | 0.7817 | NPC470586 |
Intermediate Similarity | 0.7783 | NPC472098 |
Intermediate Similarity | 0.7783 | NPC474688 |
Intermediate Similarity | 0.7767 | NPC473041 |
Intermediate Similarity | 0.7767 | NPC184408 |
Intermediate Similarity | 0.7742 | NPC475844 |
Intermediate Similarity | 0.7742 | NPC288943 |
Intermediate Similarity | 0.7711 | NPC4687 |
Intermediate Similarity | 0.7711 | NPC193238 |
Intermediate Similarity | 0.7703 | NPC144452 |
Intermediate Similarity | 0.7696 | NPC264176 |
Intermediate Similarity | 0.7689 | NPC274640 |
Intermediate Similarity | 0.7673 | NPC470931 |
Intermediate Similarity | 0.7673 | NPC470280 |
Intermediate Similarity | 0.7659 | NPC39500 |
Intermediate Similarity | 0.7656 | NPC66083 |
Intermediate Similarity | 0.765 | NPC317572 |
Intermediate Similarity | 0.7647 | NPC84347 |
Intermediate Similarity | 0.7644 | NPC42591 |
Intermediate Similarity | 0.7626 | NPC280714 |
Intermediate Similarity | 0.7624 | NPC321428 |
Intermediate Similarity | 0.7608 | NPC225279 |
Intermediate Similarity | 0.76 | NPC475112 |
Intermediate Similarity | 0.76 | NPC475085 |
Intermediate Similarity | 0.76 | NPC291535 |
Intermediate Similarity | 0.7596 | NPC96321 |
Intermediate Similarity | 0.7594 | NPC303225 |
Intermediate Similarity | 0.7592 | NPC62069 |
Intermediate Similarity | 0.7586 | NPC39679 |
Intermediate Similarity | 0.7582 | NPC322644 |
Intermediate Similarity | 0.7576 | NPC72211 |
Intermediate Similarity | 0.7574 | NPC476106 |
Intermediate Similarity | 0.7574 | NPC300156 |
Intermediate Similarity | 0.7571 | NPC280799 |
Intermediate Similarity | 0.7571 | NPC198503 |
Intermediate Similarity | 0.7562 | NPC223427 |
Intermediate Similarity | 0.7561 | NPC187501 |
Intermediate Similarity | 0.7551 | NPC79293 |
Intermediate Similarity | 0.7551 | NPC279401 |
Intermediate Similarity | 0.7546 | NPC473105 |
Intermediate Similarity | 0.7541 | NPC177404 |
Intermediate Similarity | 0.7538 | NPC128823 |
Intermediate Similarity | 0.7537 | NPC249583 |
Intermediate Similarity | 0.7535 | NPC474701 |
Intermediate Similarity | 0.7525 | NPC243834 |
Intermediate Similarity | 0.7525 | NPC70956 |
Intermediate Similarity | 0.7524 | NPC472099 |
Intermediate Similarity | 0.7524 | NPC150239 |
Intermediate Similarity | 0.7524 | NPC174760 |
Intermediate Similarity | 0.7512 | NPC269367 |
Intermediate Similarity | 0.7512 | NPC471304 |
Intermediate Similarity | 0.7512 | NPC470020 |
Intermediate Similarity | 0.75 | NPC152768 |
Intermediate Similarity | 0.75 | NPC330009 |
Intermediate Similarity | 0.75 | NPC474192 |
Intermediate Similarity | 0.75 | NPC51388 |
Intermediate Similarity | 0.75 | NPC74969 |
Intermediate Similarity | 0.75 | NPC148183 |
Intermediate Similarity | 0.75 | NPC475720 |
Intermediate Similarity | 0.75 | NPC11017 |
Intermediate Similarity | 0.7488 | NPC60621 |
Intermediate Similarity | 0.7487 | NPC144381 |
Intermediate Similarity | 0.7476 | NPC208084 |
Intermediate Similarity | 0.7475 | NPC70259 |
Intermediate Similarity | 0.7465 | NPC179287 |
Intermediate Similarity | 0.7465 | NPC473449 |
Intermediate Similarity | 0.7465 | NPC21638 |
Intermediate Similarity | 0.7465 | NPC97746 |
Intermediate Similarity | 0.7464 | NPC169402 |
Intermediate Similarity | 0.7463 | NPC476044 |
Intermediate Similarity | 0.7463 | NPC469589 |
Intermediate Similarity | 0.7452 | NPC116238 |
Intermediate Similarity | 0.7452 | NPC118228 |
Intermediate Similarity | 0.7438 | NPC470930 |
Intermediate Similarity | 0.7438 | NPC118832 |
Intermediate Similarity | 0.7438 | NPC274291 |
Intermediate Similarity | 0.7438 | NPC165349 |
Intermediate Similarity | 0.7438 | NPC264166 |
Intermediate Similarity | 0.7438 | NPC329708 |
Intermediate Similarity | 0.7438 | NPC47059 |
Intermediate Similarity | 0.7436 | NPC242928 |
Intermediate Similarity | 0.7435 | NPC478032 |
Intermediate Similarity | 0.7429 | NPC303658 |
Intermediate Similarity | 0.7429 | NPC247803 |
Intermediate Similarity | 0.7429 | NPC174576 |
Intermediate Similarity | 0.7424 | NPC205934 |
Intermediate Similarity | 0.7424 | NPC43787 |
Intermediate Similarity | 0.7415 | NPC475910 |
Intermediate Similarity | 0.7411 | NPC114335 |
Intermediate Similarity | 0.7411 | NPC280964 |
Intermediate Similarity | 0.7411 | NPC141915 |
Intermediate Similarity | 0.7404 | NPC476287 |
Intermediate Similarity | 0.7402 | NPC45190 |
Intermediate Similarity | 0.7402 | NPC472111 |
Intermediate Similarity | 0.7396 | NPC474798 |
Intermediate Similarity | 0.7393 | NPC298436 |
Intermediate Similarity | 0.7389 | NPC475774 |
Intermediate Similarity | 0.7389 | NPC162484 |
Intermediate Similarity | 0.7385 | NPC329631 |
Intermediate Similarity | 0.7382 | NPC472168 |
Intermediate Similarity | 0.738 | NPC44161 |
Intermediate Similarity | 0.7379 | NPC209769 |
Intermediate Similarity | 0.7376 | NPC267423 |
Intermediate Similarity | 0.7373 | NPC260434 |
Intermediate Similarity | 0.7368 | NPC16066 |
Intermediate Similarity | 0.736 | NPC469390 |
Intermediate Similarity | 0.7356 | NPC310211 |
Intermediate Similarity | 0.7356 | NPC308137 |
Intermediate Similarity | 0.7353 | NPC164374 |
Intermediate Similarity | 0.7353 | NPC137929 |
Intermediate Similarity | 0.7347 | NPC110741 |
Intermediate Similarity | 0.7346 | NPC131885 |
Intermediate Similarity | 0.7345 | NPC165964 |
Intermediate Similarity | 0.7343 | NPC219664 |
Intermediate Similarity | 0.7337 | NPC276517 |
Intermediate Similarity | 0.7336 | NPC205372 |
Intermediate Similarity | 0.7333 | NPC3207 |
Intermediate Similarity | 0.7333 | NPC469928 |
Intermediate Similarity | 0.733 | NPC211997 |
Intermediate Similarity | 0.7327 | NPC234197 |
Intermediate Similarity | 0.7327 | NPC329747 |
Intermediate Similarity | 0.7321 | NPC469592 |
Intermediate Similarity | 0.7321 | NPC471080 |
Intermediate Similarity | 0.7313 | NPC306376 |
Intermediate Similarity | 0.7309 | NPC124300 |
Intermediate Similarity | 0.7308 | NPC146418 |
Intermediate Similarity | 0.7306 | NPC118776 |
Intermediate Similarity | 0.7299 | NPC312645 |
Intermediate Similarity | 0.7299 | NPC305984 |
Intermediate Similarity | 0.7297 | NPC475816 |
Intermediate Similarity | 0.729 | NPC216612 |
Intermediate Similarity | 0.7285 | NPC184680 |
Intermediate Similarity | 0.7285 | NPC6786 |
Intermediate Similarity | 0.7282 | NPC315545 |
Intermediate Similarity | 0.7282 | NPC314297 |
Intermediate Similarity | 0.7277 | NPC469439 |
Intermediate Similarity | 0.7277 | NPC323969 |
Intermediate Similarity | 0.7277 | NPC291609 |
Intermediate Similarity | 0.7277 | NPC134586 |
Intermediate Similarity | 0.7277 | NPC128115 |
Intermediate Similarity | 0.7273 | NPC203168 |
Intermediate Similarity | 0.7273 | NPC48353 |
Intermediate Similarity | 0.7269 | NPC24370 |
Intermediate Similarity | 0.7269 | NPC319232 |
Intermediate Similarity | 0.7269 | NPC470018 |
Intermediate Similarity | 0.7264 | NPC267928 |
Intermediate Similarity | 0.726 | NPC49547 |
Intermediate Similarity | 0.726 | NPC199667 |
Intermediate Similarity | 0.7256 | NPC314633 |
Intermediate Similarity | 0.7255 | NPC66815 |
Intermediate Similarity | 0.7253 | NPC284348 |
Intermediate Similarity | 0.7252 | NPC470785 |
Intermediate Similarity | 0.7245 | NPC61350 |
Intermediate Similarity | 0.7238 | NPC236668 |
Intermediate Similarity | 0.7236 | NPC133140 |
Intermediate Similarity | 0.7236 | NPC195268 |
Intermediate Similarity | 0.7235 | NPC124920 |
Intermediate Similarity | 0.7235 | NPC118559 |
Intermediate Similarity | 0.7235 | NPC74575 |
Intermediate Similarity | 0.7235 | NPC34580 |
Intermediate Similarity | 0.7235 | NPC304307 |
Intermediate Similarity | 0.7233 | NPC313796 |
Intermediate Similarity | 0.7233 | NPC314855 |
Intermediate Similarity | 0.7233 | NPC315638 |
Intermediate Similarity | 0.7233 | NPC313345 |
Intermediate Similarity | 0.7233 | NPC304183 |
Intermediate Similarity | 0.7231 | NPC84478 |
Intermediate Similarity | 0.723 | NPC473179 |
Intermediate Similarity | 0.722 | NPC476098 |
Intermediate Similarity | 0.7217 | NPC293151 |
Intermediate Similarity | 0.7215 | NPC476999 |
Intermediate Similarity | 0.7212 | NPC473181 |
Intermediate Similarity | 0.7212 | NPC310618 |
Intermediate Similarity | 0.7207 | NPC476995 |
Intermediate Similarity | 0.7204 | NPC146976 |
Intermediate Similarity | 0.7202 | NPC100547 |
Intermediate Similarity | 0.7202 | NPC311906 |
Intermediate Similarity | 0.7202 | NPC194740 |
Intermediate Similarity | 0.7198 | NPC283117 |
Intermediate Similarity | 0.7198 | NPC53344 |
Intermediate Similarity | 0.7198 | NPC193777 |
Intermediate Similarity | 0.7192 | NPC241024 |
Intermediate Similarity | 0.7192 | NPC18487 |
Intermediate Similarity | 0.7191 | NPC60553 |
Intermediate Similarity | 0.719 | NPC38237 |
Intermediate Similarity | 0.7189 | NPC116573 |
Intermediate Similarity | 0.7184 | NPC285558 |
Intermediate Similarity | 0.7183 | NPC46561 |
Molecular Weight   | 361.17 |
ALogP   | -0.8979 |
MLogP   | 3.55 |
XLogP   | 6.641 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 7 |
TPSA   | 59.42 |
RO5 Violation   | 1 |