Drug ID:   | NPD5417 |
Drug Name:   | |
Molecular Formula:   | C23H18N2O3 |
Canonical SMILES:   | OC(=O)c1ccccc1Nc1cccc(c1)OCc1ccc2c(n1)cccc2 |
Standard InCHI:   | InChI=1S/C23H18N2O3/c26-23(27)20-9-2-4-11-22(20)24-17-7-5-8-19(14-17)28-15-18-13-12-16-6-1-3-10-21(16)25-18/h1-14,24H,15H2,(H,26,27) |
Standard InCHIKey:   | LMPZHLXYBWGGNT-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 | 0.8213 | NPC87413 |
Intermediate Similarity | 0.8117 | NPC291609 |
Intermediate Similarity | 0.8097 | NPC165964 |
Intermediate Similarity | 0.8072 | NPC124300 |
Intermediate Similarity | 0.8019 | NPC4687 |
Intermediate Similarity | 0.8019 | NPC321428 |
Intermediate Similarity | 0.8009 | NPC473187 |
Intermediate Similarity | 0.7981 | NPC39679 |
Intermediate Similarity | 0.7981 | NPC184408 |
Intermediate Similarity | 0.7965 | NPC310618 |
Intermediate Similarity | 0.7961 | NPC317572 |
Intermediate Similarity | 0.7909 | NPC260434 |
Intermediate Similarity | 0.7907 | NPC150239 |
Intermediate Similarity | 0.7907 | NPC174760 |
Intermediate Similarity | 0.7871 | NPC230403 |
Intermediate Similarity | 0.787 | NPC198503 |
Intermediate Similarity | 0.7847 | NPC249583 |
Intermediate Similarity | 0.7844 | NPC179287 |
Intermediate Similarity | 0.7841 | NPC208522 |
Intermediate Similarity | 0.7839 | NPC194040 |
Intermediate Similarity | 0.7838 | NPC329631 |
Intermediate Similarity | 0.7818 | NPC471762 |
Intermediate Similarity | 0.7814 | NPC247803 |
Intermediate Similarity | 0.7793 | NPC39500 |
Intermediate Similarity | 0.7778 | NPC208084 |
Intermediate Similarity | 0.7767 | NPC169402 |
Intermediate Similarity | 0.7757 | NPC116238 |
Intermediate Similarity | 0.7748 | NPC474688 |
Intermediate Similarity | 0.7738 | NPC274640 |
Intermediate Similarity | 0.7731 | NPC473041 |
Intermediate Similarity | 0.7731 | NPC227824 |
Intermediate Similarity | 0.7721 | NPC152768 |
Intermediate Similarity | 0.7721 | NPC148183 |
Intermediate Similarity | 0.7721 | NPC3207 |
Intermediate Similarity | 0.7714 | NPC300156 |
Intermediate Similarity | 0.7713 | NPC49547 |
Intermediate Similarity | 0.7709 | NPC475844 |
Intermediate Similarity | 0.7706 | NPC280799 |
Intermediate Similarity | 0.7692 | NPC470586 |
Intermediate Similarity | 0.7685 | NPC312645 |
Intermediate Similarity | 0.7674 | NPC118228 |
Intermediate Similarity | 0.7671 | NPC144452 |
Intermediate Similarity | 0.7665 | NPC283152 |
Intermediate Similarity | 0.7664 | NPC310211 |
Intermediate Similarity | 0.7664 | NPC308137 |
Intermediate Similarity | 0.7661 | NPC472099 |
Intermediate Similarity | 0.766 | NPC258048 |
Intermediate Similarity | 0.7658 | NPC66777 |
Intermediate Similarity | 0.7655 | NPC6786 |
Intermediate Similarity | 0.7647 | NPC132385 |
Intermediate Similarity | 0.7621 | NPC101350 |
Intermediate Similarity | 0.7617 | NPC187501 |
Intermediate Similarity | 0.7613 | NPC74575 |
Intermediate Similarity | 0.7602 | NPC21638 |
Intermediate Similarity | 0.7602 | NPC97746 |
Intermediate Similarity | 0.7597 | NPC473188 |
Intermediate Similarity | 0.7589 | NPC474701 |
Intermediate Similarity | 0.7583 | NPC132539 |
Intermediate Similarity | 0.7577 | NPC235685 |
Intermediate Similarity | 0.7571 | NPC475112 |
Intermediate Similarity | 0.7571 | NPC475085 |
Intermediate Similarity | 0.7571 | NPC291535 |
Intermediate Similarity | 0.7566 | NPC39370 |
Intermediate Similarity | 0.7562 | NPC320394 |
Intermediate Similarity | 0.7558 | NPC330009 |
Intermediate Similarity | 0.7557 | NPC51388 |
Intermediate Similarity | 0.7557 | NPC122436 |
Intermediate Similarity | 0.7556 | NPC473186 |
Intermediate Similarity | 0.7549 | NPC144381 |
Intermediate Similarity | 0.7547 | NPC45190 |
Intermediate Similarity | 0.7547 | NPC476106 |
Intermediate Similarity | 0.7546 | NPC89508 |
Intermediate Similarity | 0.7546 | NPC250448 |
Intermediate Similarity | 0.7543 | NPC161801 |
Intermediate Similarity | 0.7535 | NPC23294 |
Intermediate Similarity | 0.7534 | NPC157931 |
Intermediate Similarity | 0.7534 | NPC473179 |
Intermediate Similarity | 0.7525 | NPC84347 |
Intermediate Similarity | 0.7522 | NPC473105 |
Intermediate Similarity | 0.7521 | NPC67401 |
Intermediate Similarity | 0.7512 | NPC315545 |
Intermediate Similarity | 0.7512 | NPC314297 |
Intermediate Similarity | 0.7512 | NPC280714 |
Intermediate Similarity | 0.7511 | NPC63971 |
Intermediate Similarity | 0.7511 | NPC41501 |
Intermediate Similarity | 0.7511 | NPC91868 |
Intermediate Similarity | 0.75 | NPC110741 |
Intermediate Similarity | 0.75 | NPC243834 |
Intermediate Similarity | 0.75 | NPC264176 |
Intermediate Similarity | 0.75 | NPC194740 |
Intermediate Similarity | 0.75 | NPC70956 |
Intermediate Similarity | 0.75 | NPC225279 |
Intermediate Similarity | 0.75 | NPC128115 |
Intermediate Similarity | 0.7489 | NPC96321 |
Intermediate Similarity | 0.7489 | NPC46561 |
Intermediate Similarity | 0.7489 | NPC174576 |
Intermediate Similarity | 0.7488 | NPC269367 |
Intermediate Similarity | 0.7488 | NPC90415 |
Intermediate Similarity | 0.7488 | NPC303951 |
Intermediate Similarity | 0.7477 | NPC314633 |
Intermediate Similarity | 0.7477 | NPC86834 |
Intermediate Similarity | 0.7477 | NPC210828 |
Intermediate Similarity | 0.7475 | NPC303225 |
Intermediate Similarity | 0.7466 | NPC60621 |
Intermediate Similarity | 0.7465 | NPC315638 |
Intermediate Similarity | 0.7465 | NPC314855 |
Intermediate Similarity | 0.7465 | NPC313345 |
Intermediate Similarity | 0.7465 | NPC313796 |
Intermediate Similarity | 0.7464 | NPC72211 |
Intermediate Similarity | 0.7461 | NPC322644 |
Intermediate Similarity | 0.7455 | NPC298436 |
Intermediate Similarity | 0.7454 | NPC146418 |
Intermediate Similarity | 0.7453 | NPC165599 |
Intermediate Similarity | 0.7448 | NPC26850 |
Intermediate Similarity | 0.7444 | NPC473449 |
Intermediate Similarity | 0.7438 | NPC42591 |
Intermediate Similarity | 0.7437 | NPC288943 |
Intermediate Similarity | 0.7436 | NPC270515 |
Intermediate Similarity | 0.7432 | NPC220851 |
Intermediate Similarity | 0.743 | NPC193238 |
Intermediate Similarity | 0.7426 | NPC243058 |
Intermediate Similarity | 0.7421 | NPC323969 |
Intermediate Similarity | 0.7418 | NPC314648 |
Intermediate Similarity | 0.7412 | NPC182222 |
Intermediate Similarity | 0.7411 | NPC470018 |
Intermediate Similarity | 0.7409 | NPC303658 |
Intermediate Similarity | 0.7407 | NPC314834 |
Intermediate Similarity | 0.7407 | NPC470020 |
Intermediate Similarity | 0.7407 | NPC309845 |
Intermediate Similarity | 0.7404 | NPC276517 |
Intermediate Similarity | 0.7401 | NPC474192 |
Intermediate Similarity | 0.7401 | NPC475720 |
Intermediate Similarity | 0.7399 | NPC205372 |
Intermediate Similarity | 0.7395 | NPC470931 |
Intermediate Similarity | 0.7389 | NPC62069 |
Intermediate Similarity | 0.7389 | NPC203635 |
Intermediate Similarity | 0.7387 | NPC477532 |
Intermediate Similarity | 0.7385 | NPC471080 |
Intermediate Similarity | 0.7385 | NPC469592 |
Intermediate Similarity | 0.7381 | NPC306376 |
Intermediate Similarity | 0.7378 | NPC257851 |
Intermediate Similarity | 0.7376 | NPC118776 |
Intermediate Similarity | 0.7371 | NPC134848 |
Intermediate Similarity | 0.7371 | NPC223427 |
Intermediate Similarity | 0.7368 | NPC70259 |
Intermediate Similarity | 0.7366 | NPC66083 |
Intermediate Similarity | 0.7361 | NPC325297 |
Intermediate Similarity | 0.7358 | NPC267423 |
Intermediate Similarity | 0.7356 | NPC475190 |
Intermediate Similarity | 0.7352 | NPC16066 |
Intermediate Similarity | 0.7349 | NPC183777 |
Intermediate Similarity | 0.7349 | NPC244741 |
Intermediate Similarity | 0.7349 | NPC283117 |
Intermediate Similarity | 0.7348 | NPC15801 |
Intermediate Similarity | 0.7346 | NPC128823 |
Intermediate Similarity | 0.7336 | NPC285558 |
Intermediate Similarity | 0.7333 | NPC141454 |
Intermediate Similarity | 0.733 | NPC131885 |
Intermediate Similarity | 0.7328 | NPC148889 |
Intermediate Similarity | 0.7327 | NPC471304 |
Intermediate Similarity | 0.7321 | NPC43787 |
Intermediate Similarity | 0.7321 | NPC205934 |
Intermediate Similarity | 0.7318 | NPC469928 |
Intermediate Similarity | 0.7318 | NPC74969 |
Intermediate Similarity | 0.7317 | NPC160381 |
Intermediate Similarity | 0.7315 | NPC475910 |
Intermediate Similarity | 0.7313 | NPC219848 |
Intermediate Similarity | 0.7311 | NPC329982 |
Intermediate Similarity | 0.7301 | NPC478078 |
Intermediate Similarity | 0.7301 | NPC473185 |
Intermediate Similarity | 0.73 | NPC473800 |
Intermediate Similarity | 0.7297 | NPC74360 |
Intermediate Similarity | 0.7294 | NPC294375 |
Intermediate Similarity | 0.7294 | NPC220337 |
Intermediate Similarity | 0.7292 | NPC26872 |
Intermediate Similarity | 0.729 | NPC162484 |
Intermediate Similarity | 0.7285 | NPC305984 |
Intermediate Similarity | 0.7281 | NPC209769 |
Intermediate Similarity | 0.7277 | NPC256268 |
Intermediate Similarity | 0.7273 | NPC184680 |
Intermediate Similarity | 0.7273 | NPC477979 |
Intermediate Similarity | 0.7265 | NPC132642 |
Intermediate Similarity | 0.7265 | NPC469439 |
Intermediate Similarity | 0.726 | NPC12344 |
Intermediate Similarity | 0.726 | NPC472098 |
Intermediate Similarity | 0.726 | NPC48353 |
Intermediate Similarity | 0.7256 | NPC470930 |
Intermediate Similarity | 0.7252 | NPC469594 |
Intermediate Similarity | 0.7251 | NPC90229 |
Intermediate Similarity | 0.725 | NPC478083 |
Intermediate Similarity | 0.725 | NPC53534 |
Intermediate Similarity | 0.725 | NPC191310 |
Intermediate Similarity | 0.7249 | NPC196718 |
Intermediate Similarity | 0.7248 | NPC123839 |
Intermediate Similarity | 0.7246 | NPC218388 |
Intermediate Similarity | 0.7241 | NPC470784 |
Intermediate Similarity | 0.7241 | NPC470785 |
Intermediate Similarity | 0.7238 | NPC244543 |
Intermediate Similarity | 0.7234 | NPC81939 |
Intermediate Similarity | 0.7231 | NPC89549 |
Molecular Weight   | 370.13 |
ALogP   | -0.8027 |
MLogP   | 3.44 |
XLogP   | 6.813 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 7 |
TPSA   | 71.45 |
RO5 Violation   | 1 |