Drug ID:   | NPD4204 |
Drug Name:   | Dibucaine |
Molecular Formula:   | C20H29N3O2 |
Canonical SMILES:   | CCCCOc1nc2ccccc2c(c1)C(=NCCN(CC)CC)O |
Standard InCHI:   | InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24) |
Standard InCHIKey:   | PUFQVTATUTYEAL-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 |
---|---|---|
High Similarity | 0.8765 | NPC283152 |
Intermediate Similarity | 0.8382 | NPC288943 |
Intermediate Similarity | 0.8371 | NPC66083 |
Intermediate Similarity | 0.8364 | NPC26872 |
Intermediate Similarity | 0.8342 | NPC472111 |
Intermediate Similarity | 0.8284 | NPC177404 |
Intermediate Similarity | 0.8242 | NPC79293 |
Intermediate Similarity | 0.8242 | NPC279401 |
Intermediate Similarity | 0.8214 | NPC26850 |
Intermediate Similarity | 0.8211 | NPC469589 |
Intermediate Similarity | 0.8101 | NPC62069 |
Intermediate Similarity | 0.8053 | NPC474145 |
Intermediate Similarity | 0.8053 | NPC475841 |
Intermediate Similarity | 0.8041 | NPC471080 |
Intermediate Similarity | 0.8041 | NPC469592 |
Intermediate Similarity | 0.8037 | NPC60553 |
Intermediate Similarity | 0.8023 | NPC211997 |
Intermediate Similarity | 0.8011 | NPC194040 |
Intermediate Similarity | 0.8 | NPC165349 |
Intermediate Similarity | 0.8 | NPC329708 |
Intermediate Similarity | 0.8 | NPC118832 |
Intermediate Similarity | 0.8 | NPC264166 |
Intermediate Similarity | 0.8 | NPC47059 |
Intermediate Similarity | 0.8 | NPC274291 |
Intermediate Similarity | 0.7966 | NPC134586 |
Intermediate Similarity | 0.7956 | NPC42591 |
Intermediate Similarity | 0.7947 | NPC223427 |
Intermediate Similarity | 0.791 | NPC312872 |
Intermediate Similarity | 0.7879 | NPC469594 |
Intermediate Similarity | 0.7876 | NPC475910 |
Intermediate Similarity | 0.7845 | NPC176127 |
Intermediate Similarity | 0.7816 | NPC118511 |
Intermediate Similarity | 0.7806 | NPC472098 |
Intermediate Similarity | 0.7797 | NPC158129 |
Intermediate Similarity | 0.7789 | NPC329793 |
Intermediate Similarity | 0.7789 | NPC249040 |
Intermediate Similarity | 0.7766 | NPC251090 |
Intermediate Similarity | 0.7754 | NPC307963 |
Intermediate Similarity | 0.7735 | NPC222592 |
Intermediate Similarity | 0.7735 | NPC168486 |
Intermediate Similarity | 0.7725 | NPC267928 |
Intermediate Similarity | 0.7716 | NPC264176 |
Intermediate Similarity | 0.7711 | NPC128115 |
Intermediate Similarity | 0.7705 | NPC84478 |
Intermediate Similarity | 0.7696 | NPC176538 |
Intermediate Similarity | 0.7696 | NPC329747 |
Intermediate Similarity | 0.7692 | NPC470931 |
Intermediate Similarity | 0.7692 | NPC219963 |
Intermediate Similarity | 0.7684 | NPC44161 |
Intermediate Similarity | 0.768 | NPC476106 |
Intermediate Similarity | 0.7668 | NPC475774 |
Intermediate Similarity | 0.7654 | NPC471294 |
Intermediate Similarity | 0.7647 | NPC92111 |
Intermediate Similarity | 0.7647 | NPC469390 |
Intermediate Similarity | 0.7644 | NPC84508 |
Intermediate Similarity | 0.7641 | NPC53344 |
Intermediate Similarity | 0.7635 | NPC280272 |
Intermediate Similarity | 0.7634 | NPC110741 |
Intermediate Similarity | 0.7632 | NPC243834 |
Intermediate Similarity | 0.7632 | NPC70956 |
Intermediate Similarity | 0.7617 | NPC291535 |
Intermediate Similarity | 0.7617 | NPC475085 |
Intermediate Similarity | 0.7617 | NPC295898 |
Intermediate Similarity | 0.7617 | NPC475112 |
Intermediate Similarity | 0.7606 | NPC195268 |
Intermediate Similarity | 0.7606 | NPC133140 |
Intermediate Similarity | 0.7604 | NPC315957 |
Intermediate Similarity | 0.7602 | NPC82548 |
Intermediate Similarity | 0.76 | NPC148183 |
Intermediate Similarity | 0.76 | NPC152768 |
Intermediate Similarity | 0.7596 | NPC266551 |
Intermediate Similarity | 0.7596 | NPC161887 |
Intermediate Similarity | 0.7594 | NPC76748 |
Intermediate Similarity | 0.7588 | NPC478074 |
Intermediate Similarity | 0.7586 | NPC310118 |
Intermediate Similarity | 0.7584 | NPC317430 |
Intermediate Similarity | 0.7574 | NPC213530 |
Intermediate Similarity | 0.7574 | NPC193267 |
Intermediate Similarity | 0.7565 | NPC232727 |
Intermediate Similarity | 0.7563 | NPC174672 |
Intermediate Similarity | 0.7552 | NPC476578 |
Intermediate Similarity | 0.7552 | NPC4071 |
Intermediate Similarity | 0.7552 | NPC476582 |
Intermediate Similarity | 0.7552 | NPC128823 |
Intermediate Similarity | 0.7542 | NPC126481 |
Intermediate Similarity | 0.754 | NPC296527 |
Intermediate Similarity | 0.7538 | NPC202605 |
Intermediate Similarity | 0.7538 | NPC112206 |
Intermediate Similarity | 0.7537 | NPC132642 |
Intermediate Similarity | 0.7537 | NPC472099 |
Intermediate Similarity | 0.7529 | NPC161292 |
Intermediate Similarity | 0.7527 | NPC61350 |
Intermediate Similarity | 0.7527 | NPC204385 |
Intermediate Similarity | 0.7525 | NPC471304 |
Intermediate Similarity | 0.7514 | NPC303225 |
Intermediate Similarity | 0.7514 | NPC320394 |
Intermediate Similarity | 0.7513 | NPC280964 |
Intermediate Similarity | 0.7513 | NPC141915 |
Intermediate Similarity | 0.7513 | NPC19872 |
Intermediate Similarity | 0.7513 | NPC114335 |
Intermediate Similarity | 0.75 | NPC118776 |
Intermediate Similarity | 0.75 | NPC121658 |
Intermediate Similarity | 0.75 | NPC81229 |
Intermediate Similarity | 0.75 | NPC255229 |
Intermediate Similarity | 0.75 | NPC72211 |
Intermediate Similarity | 0.75 | NPC14651 |
Intermediate Similarity | 0.75 | NPC206201 |
Intermediate Similarity | 0.7488 | NPC110151 |
Intermediate Similarity | 0.7487 | NPC476138 |
Intermediate Similarity | 0.7487 | NPC245816 |
Intermediate Similarity | 0.7475 | NPC174758 |
Intermediate Similarity | 0.7474 | NPC289786 |
Intermediate Similarity | 0.7473 | NPC203754 |
Intermediate Similarity | 0.7473 | NPC150048 |
Intermediate Similarity | 0.7473 | NPC472122 |
Intermediate Similarity | 0.7473 | NPC24594 |
Intermediate Similarity | 0.7462 | NPC193238 |
Intermediate Similarity | 0.7459 | NPC259545 |
Intermediate Similarity | 0.7458 | NPC47298 |
Intermediate Similarity | 0.7458 | NPC315214 |
Intermediate Similarity | 0.7457 | NPC153769 |
Intermediate Similarity | 0.745 | NPC26679 |
Intermediate Similarity | 0.745 | NPC203168 |
Intermediate Similarity | 0.7449 | NPC476581 |
Intermediate Similarity | 0.7449 | NPC16452 |
Intermediate Similarity | 0.7449 | NPC285558 |
Intermediate Similarity | 0.7449 | NPC36229 |
Intermediate Similarity | 0.7446 | NPC478032 |
Intermediate Similarity | 0.7444 | NPC476518 |
Intermediate Similarity | 0.7438 | NPC303658 |
Intermediate Similarity | 0.7437 | NPC290689 |
Intermediate Similarity | 0.7437 | NPC219664 |
Intermediate Similarity | 0.7432 | NPC326575 |
Intermediate Similarity | 0.7426 | NPC470799 |
Intermediate Similarity | 0.7426 | NPC8022 |
Intermediate Similarity | 0.7424 | NPC287208 |
Intermediate Similarity | 0.7423 | NPC234197 |
Intermediate Similarity | 0.7423 | NPC11017 |
Intermediate Similarity | 0.7416 | NPC32028 |
Intermediate Similarity | 0.7416 | NPC159319 |
Intermediate Similarity | 0.7413 | NPC316181 |
Intermediate Similarity | 0.7413 | NPC266931 |
Intermediate Similarity | 0.7413 | NPC476287 |
Intermediate Similarity | 0.7413 | NPC151781 |
Intermediate Similarity | 0.7413 | NPC74562 |
Intermediate Similarity | 0.7398 | NPC162484 |
Intermediate Similarity | 0.7396 | NPC70259 |
Intermediate Similarity | 0.7396 | NPC13880 |
Intermediate Similarity | 0.7391 | NPC72980 |
Intermediate Similarity | 0.7391 | NPC232340 |
Intermediate Similarity | 0.7389 | NPC305984 |
Intermediate Similarity | 0.7385 | NPC470586 |
Intermediate Similarity | 0.7374 | NPC471178 |
Intermediate Similarity | 0.7374 | NPC193777 |
Intermediate Similarity | 0.7371 | NPC287437 |
Intermediate Similarity | 0.7371 | NPC280714 |
Intermediate Similarity | 0.7366 | NPC133306 |
Intermediate Similarity | 0.7363 | NPC48353 |
Intermediate Similarity | 0.736 | NPC475070 |
Intermediate Similarity | 0.7358 | NPC224928 |
Intermediate Similarity | 0.7351 | NPC187827 |
Intermediate Similarity | 0.7351 | NPC472105 |
Intermediate Similarity | 0.735 | NPC167860 |
Intermediate Similarity | 0.735 | NPC11464 |
Intermediate Similarity | 0.735 | NPC269367 |
Intermediate Similarity | 0.735 | NPC123976 |
Intermediate Similarity | 0.7347 | NPC66815 |
Intermediate Similarity | 0.7347 | NPC135887 |
Intermediate Similarity | 0.7347 | NPC199277 |
Intermediate Similarity | 0.7344 | NPC205934 |
Intermediate Similarity | 0.7344 | NPC43787 |
Intermediate Similarity | 0.734 | NPC171171 |
Intermediate Similarity | 0.7333 | NPC477019 |
Intermediate Similarity | 0.733 | NPC141353 |
Intermediate Similarity | 0.733 | NPC477532 |
Intermediate Similarity | 0.733 | NPC60621 |
Intermediate Similarity | 0.7318 | NPC476118 |
Intermediate Similarity | 0.7313 | NPC208284 |
Intermediate Similarity | 0.731 | NPC469440 |
Intermediate Similarity | 0.7308 | NPC473449 |
Intermediate Similarity | 0.7306 | NPC473053 |
Intermediate Similarity | 0.7303 | NPC285635 |
Intermediate Similarity | 0.73 | NPC185782 |
Intermediate Similarity | 0.7297 | NPC133261 |
Intermediate Similarity | 0.7296 | NPC31930 |
Intermediate Similarity | 0.7292 | NPC226202 |
Intermediate Similarity | 0.7287 | NPC62510 |
Intermediate Similarity | 0.7287 | NPC314002 |
Intermediate Similarity | 0.7286 | NPC476997 |
Intermediate Similarity | 0.7286 | NPC313189 |
Intermediate Similarity | 0.7283 | NPC84347 |
Intermediate Similarity | 0.7283 | NPC56618 |
Intermediate Similarity | 0.7282 | NPC18487 |
Intermediate Similarity | 0.7282 | NPC477533 |
Intermediate Similarity | 0.7277 | NPC316981 |
Intermediate Similarity | 0.7277 | NPC94157 |
Intermediate Similarity | 0.7273 | NPC472110 |
Intermediate Similarity | 0.7273 | NPC139291 |
Intermediate Similarity | 0.7273 | NPC472109 |
Intermediate Similarity | 0.7273 | NPC472108 |
Molecular Weight   | 343.23 |
ALogP   | -0.2312 |
MLogP   | 3.11 |
XLogP   | 4.578 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 14 |
TPSA   | 57.95 |
RO5 Violation   | 0 |