Drug ID:   | NPD528 |
Drug Name:   | |
Molecular Formula:   | C11H14N2O |
Canonical SMILES:   | OC(=N)CNC1Cc2c(C1)cccc2 |
Standard InCHI:   | InChI=1S/C11H14N2O/c12-11(14)7-13-10-5-8-3-1-2-4-9(8)6-10/h1-4,10,13H,5-7H2,(H2,12,14) |
Standard InCHIKey:   | MNLULKBKWKTZPE-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 | 0.7582 | NPC139658 |
Intermediate Similarity | 0.7526 | NPC258046 |
Intermediate Similarity | 0.7363 | NPC122327 |
Intermediate Similarity | 0.7363 | NPC113000 |
Intermediate Similarity | 0.7363 | NPC112609 |
Intermediate Similarity | 0.7353 | NPC7067 |
Intermediate Similarity | 0.7327 | NPC226438 |
Intermediate Similarity | 0.7282 | NPC329430 |
Intermediate Similarity | 0.7228 | NPC316108 |
Intermediate Similarity | 0.7222 | NPC229235 |
Intermediate Similarity | 0.7222 | NPC150254 |
Intermediate Similarity | 0.7222 | NPC147000 |
Intermediate Similarity | 0.7222 | NPC304761 |
Intermediate Similarity | 0.7222 | NPC226778 |
Intermediate Similarity | 0.7156 | NPC67043 |
Intermediate Similarity | 0.7143 | NPC169016 |
Intermediate Similarity | 0.713 | NPC164859 |
Intermediate Similarity | 0.7128 | NPC290638 |
Intermediate Similarity | 0.7128 | NPC98269 |
Intermediate Similarity | 0.7128 | NPC325662 |
Intermediate Similarity | 0.7115 | NPC161972 |
Intermediate Similarity | 0.7115 | NPC303045 |
Intermediate Similarity | 0.71 | NPC471638 |
Intermediate Similarity | 0.7091 | NPC327481 |
Intermediate Similarity | 0.7053 | NPC12857 |
Intermediate Similarity | 0.7048 | NPC471319 |
Intermediate Similarity | 0.7048 | NPC25565 |
Intermediate Similarity | 0.7048 | NPC471320 |
Intermediate Similarity | 0.7037 | NPC327226 |
Intermediate Similarity | 0.7037 | NPC329375 |
Intermediate Similarity | 0.7019 | NPC469330 |
Intermediate Similarity | 0.7 | NPC203076 |
Remote Similarity | 0.6983 | NPC101139 |
Remote Similarity | 0.6981 | NPC475439 |
Remote Similarity | 0.6981 | NPC311242 |
Remote Similarity | 0.6981 | NPC473501 |
Remote Similarity | 0.697 | NPC133162 |
Remote Similarity | 0.6952 | NPC108339 |
Remote Similarity | 0.6931 | NPC473031 |
Remote Similarity | 0.6917 | NPC71684 |
Remote Similarity | 0.6915 | NPC276699 |
Remote Similarity | 0.6909 | NPC275467 |
Remote Similarity | 0.6869 | NPC104070 |
Remote Similarity | 0.6869 | NPC119677 |
Remote Similarity | 0.6863 | NPC12429 |
Remote Similarity | 0.6857 | NPC322040 |
Remote Similarity | 0.6842 | NPC319579 |
Remote Similarity | 0.6837 | NPC231986 |
Remote Similarity | 0.6827 | NPC245259 |
Remote Similarity | 0.6822 | NPC293628 |
Remote Similarity | 0.6822 | NPC122493 |
Remote Similarity | 0.6822 | NPC10781 |
Remote Similarity | 0.68 | NPC40488 |
Remote Similarity | 0.6796 | NPC470877 |
Remote Similarity | 0.6789 | NPC469457 |
Remote Similarity | 0.6783 | NPC275410 |
Remote Similarity | 0.6783 | NPC329011 |
Remote Similarity | 0.6768 | NPC14326 |
Remote Similarity | 0.6759 | NPC164514 |
Remote Similarity | 0.6759 | NPC108606 |
Remote Similarity | 0.6759 | NPC226096 |
Remote Similarity | 0.6759 | NPC290515 |
Remote Similarity | 0.6759 | NPC303611 |
Remote Similarity | 0.6754 | NPC24777 |
Remote Similarity | 0.6735 | NPC192623 |
Remote Similarity | 0.6733 | NPC3210 |
Remote Similarity | 0.6731 | NPC159178 |
Remote Similarity | 0.6731 | NPC74936 |
Remote Similarity | 0.6731 | NPC78041 |
Remote Similarity | 0.6731 | NPC209764 |
Remote Similarity | 0.6731 | NPC141139 |
Remote Similarity | 0.6731 | NPC471307 |
Remote Similarity | 0.6731 | NPC121872 |
Remote Similarity | 0.6724 | NPC474584 |
Remote Similarity | 0.6702 | NPC244738 |
Remote Similarity | 0.6697 | NPC12730 |
Remote Similarity | 0.6667 | NPC276949 |
Remote Similarity | 0.6667 | NPC470926 |
Remote Similarity | 0.6667 | NPC219246 |
Remote Similarity | 0.6667 | NPC324569 |
Remote Similarity | 0.6667 | NPC35850 |
Remote Similarity | 0.6667 | NPC472258 |
Remote Similarity | 0.6639 | NPC14672 |
Remote Similarity | 0.6639 | NPC315276 |
Remote Similarity | 0.6639 | NPC285926 |
Remote Similarity | 0.6636 | NPC214200 |
Remote Similarity | 0.6636 | NPC215351 |
Remote Similarity | 0.6636 | NPC228400 |
Remote Similarity | 0.6636 | NPC20142 |
Remote Similarity | 0.661 | NPC33742 |
Remote Similarity | 0.6607 | NPC194390 |
Remote Similarity | 0.6607 | NPC88267 |
Remote Similarity | 0.6607 | NPC113326 |
Remote Similarity | 0.6607 | NPC224610 |
Remote Similarity | 0.6571 | NPC172128 |
Remote Similarity | 0.6562 | NPC98976 |
Remote Similarity | 0.6556 | NPC21211 |
Remote Similarity | 0.6555 | NPC197470 |
Remote Similarity | 0.6542 | NPC246757 |
Remote Similarity | 0.6542 | NPC471309 |
Remote Similarity | 0.6542 | NPC291070 |
Remote Similarity | 0.6538 | NPC325441 |
Remote Similarity | 0.6535 | NPC474088 |
Remote Similarity | 0.6508 | NPC477937 |
Remote Similarity | 0.6504 | NPC273830 |
Remote Similarity | 0.65 | NPC470544 |
Remote Similarity | 0.65 | NPC2265 |
Remote Similarity | 0.6495 | NPC271642 |
Remote Similarity | 0.6491 | NPC473498 |
Remote Similarity | 0.6491 | NPC274089 |
Remote Similarity | 0.6491 | NPC191215 |
Remote Similarity | 0.6486 | NPC474582 |
Remote Similarity | 0.6481 | NPC58674 |
Remote Similarity | 0.6455 | NPC322598 |
Remote Similarity | 0.6446 | NPC470545 |
Remote Similarity | 0.6439 | NPC478140 |
Remote Similarity | 0.6423 | NPC200964 |
Remote Similarity | 0.6423 | NPC326232 |
Remote Similarity | 0.6423 | NPC476990 |
Remote Similarity | 0.6415 | NPC258627 |
Remote Similarity | 0.6415 | NPC78154 |
Remote Similarity | 0.6412 | NPC141050 |
Remote Similarity | 0.6404 | NPC474695 |
Remote Similarity | 0.6393 | NPC314992 |
Remote Similarity | 0.6393 | NPC470546 |
Remote Similarity | 0.6379 | NPC77294 |
Remote Similarity | 0.6371 | NPC202521 |
Remote Similarity | 0.6349 | NPC222466 |
Remote Similarity | 0.6349 | NPC22746 |
Remote Similarity | 0.6348 | NPC45033 |
Remote Similarity | 0.6341 | NPC283760 |
Remote Similarity | 0.632 | NPC252878 |
Remote Similarity | 0.6299 | NPC101719 |
Remote Similarity | 0.6296 | NPC473661 |
Remote Similarity | 0.6289 | NPC299134 |
Remote Similarity | 0.6286 | NPC17497 |
Remote Similarity | 0.6286 | NPC60408 |
Remote Similarity | 0.6286 | NPC305602 |
Remote Similarity | 0.6281 | NPC10286 |
Remote Similarity | 0.6281 | NPC213 |
Remote Similarity | 0.627 | NPC175726 |
Remote Similarity | 0.627 | NPC474082 |
Remote Similarity | 0.627 | NPC46427 |
Remote Similarity | 0.627 | NPC6975 |
Remote Similarity | 0.6264 | NPC66517 |
Remote Similarity | 0.6261 | NPC211551 |
Remote Similarity | 0.6261 | NPC143516 |
Remote Similarity | 0.626 | NPC220698 |
Remote Similarity | 0.625 | NPC125732 |
Remote Similarity | 0.6238 | NPC309279 |
Remote Similarity | 0.623 | NPC239357 |
Remote Similarity | 0.623 | NPC313673 |
Remote Similarity | 0.6226 | NPC262393 |
Remote Similarity | 0.6207 | NPC130898 |
Remote Similarity | 0.6207 | NPC474973 |
Remote Similarity | 0.6207 | NPC474804 |
Remote Similarity | 0.6207 | NPC471447 |
Remote Similarity | 0.6198 | NPC246904 |
Remote Similarity | 0.6198 | NPC113099 |
Remote Similarity | 0.619 | NPC109151 |
Remote Similarity | 0.6183 | NPC126458 |
Remote Similarity | 0.6179 | NPC137096 |
Remote Similarity | 0.6154 | NPC111428 |
Remote Similarity | 0.6154 | NPC238023 |
Remote Similarity | 0.6154 | NPC310758 |
Remote Similarity | 0.6148 | NPC132636 |
Remote Similarity | 0.6148 | NPC473573 |
Remote Similarity | 0.6146 | NPC263385 |
Remote Similarity | 0.6142 | NPC35996 |
Remote Similarity | 0.614 | NPC239854 |
Remote Similarity | 0.614 | NPC318154 |
Remote Similarity | 0.6121 | NPC476198 |
Remote Similarity | 0.6121 | NPC473418 |
Remote Similarity | 0.6119 | NPC314835 |
Remote Similarity | 0.6111 | NPC475915 |
Remote Similarity | 0.6087 | NPC71009 |
Remote Similarity | 0.6087 | NPC178902 |
Remote Similarity | 0.6087 | NPC202613 |
Remote Similarity | 0.6087 | NPC471317 |
Remote Similarity | 0.6087 | NPC68055 |
Remote Similarity | 0.6087 | NPC471310 |
Remote Similarity | 0.6082 | NPC121708 |
Remote Similarity | 0.6082 | NPC125144 |
Remote Similarity | 0.6071 | NPC33168 |
Remote Similarity | 0.6066 | NPC118202 |
Remote Similarity | 0.6066 | NPC470550 |
Remote Similarity | 0.6063 | NPC27581 |
Remote Similarity | 0.6053 | NPC289381 |
Remote Similarity | 0.6053 | NPC155847 |
Remote Similarity | 0.6047 | NPC474479 |
Remote Similarity | 0.6045 | NPC267237 |
Remote Similarity | 0.6042 | NPC200936 |
Remote Similarity | 0.6036 | NPC256452 |
Remote Similarity | 0.6034 | NPC469974 |
Remote Similarity | 0.6032 | NPC27833 |
Remote Similarity | 0.6031 | NPC473322 |
Remote Similarity | 0.602 | NPC1901 |
Remote Similarity | 0.6016 | NPC283130 |
Remote Similarity | 0.6016 | NPC317254 |
Remote Similarity | 0.6016 | NPC328683 |
Molecular Weight   | 190.11 |
ALogP   | -0.6294 |
MLogP   | 2.34 |
XLogP   | 2.963 |
HDA   | 3 |
HBD   | 3 |
Rotatable Bonds   | 4 |
TPSA   | 56.11 |
RO5 Violation   | 0 |