Drug ID:   | NPD3908 |
Drug Name:   | Amino(Diphenylhydantoin) Valeric Acid |
Molecular Formula:   | C20H21N3O4 |
Canonical SMILES:   | OC(=O)C(CCCN1C(=NC(C1=O)(c1ccccc1)c1ccccc1)O)N |
Standard InCHI:   | InChI=1S/C20H21N3O4/c21-16(17(24)25)12-7-13-23-18(26)20(22-19(23)27,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,21H2,(H,22,27)(H,24,25) |
Standard InCHIKey:   | PAJBBDCZSMDSFL-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
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 | 0.8014 | NPC132636 |
Intermediate Similarity | 0.7554 | NPC477937 |
Intermediate Similarity | 0.7463 | NPC315276 |
Intermediate Similarity | 0.7463 | NPC14672 |
Intermediate Similarity | 0.7463 | NPC285926 |
Intermediate Similarity | 0.7447 | NPC111428 |
Intermediate Similarity | 0.7445 | NPC71684 |
Intermediate Similarity | 0.7405 | NPC319579 |
Intermediate Similarity | 0.7372 | NPC200964 |
Intermediate Similarity | 0.7308 | NPC324850 |
Intermediate Similarity | 0.7285 | NPC311658 |
Intermediate Similarity | 0.7279 | NPC470545 |
Intermediate Similarity | 0.7273 | NPC200589 |
Intermediate Similarity | 0.7226 | NPC470546 |
Intermediate Similarity | 0.7222 | NPC255447 |
Intermediate Similarity | 0.7219 | NPC314114 |
Intermediate Similarity | 0.7206 | NPC470544 |
Intermediate Similarity | 0.7203 | NPC473322 |
Intermediate Similarity | 0.7179 | NPC469903 |
Intermediate Similarity | 0.7161 | NPC122590 |
Intermediate Similarity | 0.7143 | NPC314835 |
Intermediate Similarity | 0.7133 | NPC161069 |
Intermediate Similarity | 0.7117 | NPC198254 |
Intermediate Similarity | 0.7117 | NPC274198 |
Intermediate Similarity | 0.7113 | NPC101719 |
Intermediate Similarity | 0.7107 | NPC469243 |
Intermediate Similarity | 0.7107 | NPC469902 |
Intermediate Similarity | 0.7105 | NPC262077 |
Intermediate Similarity | 0.7092 | NPC474082 |
Intermediate Similarity | 0.7092 | NPC175726 |
Intermediate Similarity | 0.7086 | NPC52748 |
Intermediate Similarity | 0.7059 | NPC33742 |
Intermediate Similarity | 0.7042 | NPC222466 |
Intermediate Similarity | 0.7039 | NPC209509 |
Intermediate Similarity | 0.7039 | NPC315266 |
Intermediate Similarity | 0.7037 | NPC474584 |
Intermediate Similarity | 0.7023 | NPC473418 |
Intermediate Similarity | 0.7012 | NPC276506 |
Intermediate Similarity | 0.7006 | NPC473002 |
Intermediate Similarity | 0.7 | NPC164859 |
Intermediate Similarity | 0.7 | NPC475544 |
Remote Similarity | 0.6978 | NPC220698 |
Remote Similarity | 0.6975 | NPC223207 |
Remote Similarity | 0.6972 | NPC6975 |
Remote Similarity | 0.6968 | NPC2501 |
Remote Similarity | 0.6963 | NPC329011 |
Remote Similarity | 0.6948 | NPC138775 |
Remote Similarity | 0.6946 | NPC196243 |
Remote Similarity | 0.6937 | NPC62104 |
Remote Similarity | 0.6937 | NPC1390 |
Remote Similarity | 0.6933 | NPC92784 |
Remote Similarity | 0.6933 | NPC476133 |
Remote Similarity | 0.6933 | NPC304074 |
Remote Similarity | 0.6933 | NPC471771 |
Remote Similarity | 0.6933 | NPC98424 |
Remote Similarity | 0.6933 | NPC470884 |
Remote Similarity | 0.6933 | NPC178662 |
Remote Similarity | 0.6933 | NPC290755 |
Remote Similarity | 0.6908 | NPC468984 |
Remote Similarity | 0.6908 | NPC77905 |
Remote Similarity | 0.6903 | NPC471821 |
Remote Similarity | 0.6903 | NPC471820 |
Remote Similarity | 0.6894 | NPC67043 |
Remote Similarity | 0.6875 | NPC293628 |
Remote Similarity | 0.6875 | NPC122493 |
Remote Similarity | 0.6875 | NPC10781 |
Remote Similarity | 0.6871 | NPC189116 |
Remote Similarity | 0.6863 | NPC476978 |
Remote Similarity | 0.6861 | NPC276949 |
Remote Similarity | 0.6861 | NPC35850 |
Remote Similarity | 0.6855 | NPC473580 |
Remote Similarity | 0.6853 | NPC35996 |
Remote Similarity | 0.6848 | NPC469904 |
Remote Similarity | 0.6846 | NPC141050 |
Remote Similarity | 0.6842 | NPC263493 |
Remote Similarity | 0.6842 | NPC269398 |
Remote Similarity | 0.6842 | NPC327481 |
Remote Similarity | 0.6835 | NPC239357 |
Remote Similarity | 0.6831 | NPC202521 |
Remote Similarity | 0.6824 | NPC194857 |
Remote Similarity | 0.6824 | NPC32858 |
Remote Similarity | 0.6824 | NPC153554 |
Remote Similarity | 0.6818 | NPC5620 |
Remote Similarity | 0.679 | NPC469901 |
Remote Similarity | 0.679 | NPC473003 |
Remote Similarity | 0.6776 | NPC239762 |
Remote Similarity | 0.6776 | NPC163392 |
Remote Similarity | 0.6772 | NPC300443 |
Remote Similarity | 0.6768 | NPC113056 |
Remote Similarity | 0.6768 | NPC217804 |
Remote Similarity | 0.6768 | NPC5719 |
Remote Similarity | 0.6768 | NPC138293 |
Remote Similarity | 0.6768 | NPC22883 |
Remote Similarity | 0.6768 | NPC210377 |
Remote Similarity | 0.6763 | NPC197470 |
Remote Similarity | 0.6761 | NPC476990 |
Remote Similarity | 0.6761 | NPC27833 |
Remote Similarity | 0.6757 | NPC130309 |
Remote Similarity | 0.6755 | NPC471264 |
Remote Similarity | 0.6755 | NPC471265 |
Remote Similarity | 0.6744 | NPC324569 |
Remote Similarity | 0.6735 | NPC311753 |
Remote Similarity | 0.6733 | NPC248283 |
Remote Similarity | 0.6733 | NPC474473 |
Remote Similarity | 0.673 | NPC473341 |
Remote Similarity | 0.6728 | NPC24617 |
Remote Similarity | 0.6727 | NPC15068 |
Remote Similarity | 0.6726 | NPC475532 |
Remote Similarity | 0.6716 | NPC45033 |
Remote Similarity | 0.6711 | NPC89489 |
Remote Similarity | 0.669 | NPC22746 |
Remote Similarity | 0.6688 | NPC240848 |
Remote Similarity | 0.6687 | NPC63040 |
Remote Similarity | 0.6687 | NPC114806 |
Remote Similarity | 0.6687 | NPC471527 |
Remote Similarity | 0.6686 | NPC165285 |
Remote Similarity | 0.6686 | NPC17698 |
Remote Similarity | 0.6667 | NPC252878 |
Remote Similarity | 0.6667 | NPC197743 |
Remote Similarity | 0.6667 | NPC297145 |
Remote Similarity | 0.6647 | NPC280022 |
Remote Similarity | 0.6646 | NPC129666 |
Remote Similarity | 0.6645 | NPC315283 |
Remote Similarity | 0.6645 | NPC127741 |
Remote Similarity | 0.6645 | NPC314388 |
Remote Similarity | 0.6642 | NPC476198 |
Remote Similarity | 0.6641 | NPC12730 |
Remote Similarity | 0.6624 | NPC16188 |
Remote Similarity | 0.6621 | NPC46427 |
Remote Similarity | 0.6608 | NPC14849 |
Remote Similarity | 0.6608 | NPC473001 |
Remote Similarity | 0.6604 | NPC475168 |
Remote Similarity | 0.6604 | NPC7817 |
Remote Similarity | 0.6603 | NPC316008 |
Remote Similarity | 0.6603 | NPC313867 |
Remote Similarity | 0.66 | NPC325479 |
Remote Similarity | 0.6599 | NPC322433 |
Remote Similarity | 0.6599 | NPC136453 |
Remote Similarity | 0.6589 | NPC108339 |
Remote Similarity | 0.6588 | NPC328611 |
Remote Similarity | 0.6585 | NPC154478 |
Remote Similarity | 0.6582 | NPC105717 |
Remote Similarity | 0.6581 | NPC139326 |
Remote Similarity | 0.6577 | NPC300315 |
Remote Similarity | 0.6577 | NPC325651 |
Remote Similarity | 0.657 | NPC147298 |
Remote Similarity | 0.657 | NPC131450 |
Remote Similarity | 0.657 | NPC182057 |
Remote Similarity | 0.6566 | NPC63931 |
Remote Similarity | 0.6565 | NPC322598 |
Remote Similarity | 0.6564 | NPC84317 |
Remote Similarity | 0.6561 | NPC314358 |
Remote Similarity | 0.6558 | NPC307357 |
Remote Similarity | 0.6558 | NPC48202 |
Remote Similarity | 0.6558 | NPC46098 |
Remote Similarity | 0.6558 | NPC268841 |
Remote Similarity | 0.6554 | NPC89923 |
Remote Similarity | 0.6554 | NPC71933 |
Remote Similarity | 0.6554 | NPC239990 |
Remote Similarity | 0.6554 | NPC152850 |
Remote Similarity | 0.6554 | NPC105114 |
Remote Similarity | 0.6548 | NPC129486 |
Remote Similarity | 0.6545 | NPC73655 |
Remote Similarity | 0.6545 | NPC68650 |
Remote Similarity | 0.6541 | NPC13470 |
Remote Similarity | 0.6533 | NPC126458 |
Remote Similarity | 0.6519 | NPC225648 |
Remote Similarity | 0.6519 | NPC329761 |
Remote Similarity | 0.651 | NPC469666 |
Remote Similarity | 0.6503 | NPC314992 |
Remote Similarity | 0.6497 | NPC322878 |
Remote Similarity | 0.6497 | NPC94862 |
Remote Similarity | 0.6497 | NPC471680 |
Remote Similarity | 0.6494 | NPC242159 |
Remote Similarity | 0.6494 | NPC287358 |
Remote Similarity | 0.6494 | NPC313694 |
Remote Similarity | 0.649 | NPC257390 |
Remote Similarity | 0.6481 | NPC470902 |
Remote Similarity | 0.6477 | NPC235194 |
Remote Similarity | 0.6474 | NPC119652 |
Remote Similarity | 0.6474 | NPC97526 |
Remote Similarity | 0.6471 | NPC475598 |
Remote Similarity | 0.6471 | NPC474787 |
Remote Similarity | 0.6471 | NPC90194 |
Remote Similarity | 0.6471 | NPC475318 |
Remote Similarity | 0.6471 | NPC9687 |
Remote Similarity | 0.6471 | NPC49577 |
Remote Similarity | 0.6471 | NPC293377 |
Remote Similarity | 0.6471 | NPC260045 |
Remote Similarity | 0.6471 | NPC474811 |
Remote Similarity | 0.6471 | NPC151706 |
Remote Similarity | 0.6471 | NPC476102 |
Remote Similarity | 0.6471 | NPC79465 |
Remote Similarity | 0.6471 | NPC118099 |
Remote Similarity | 0.6471 | NPC76785 |
Remote Similarity | 0.6471 | NPC273907 |
Remote Similarity | 0.6471 | NPC474855 |
Remote Similarity | 0.646 | NPC162104 |
Remote Similarity | 0.645 | NPC66490 |
Remote Similarity | 0.6447 | NPC287401 |
Molecular Weight   | 367.15 |
ALogP   | -2.1941 |
MLogP   | 2.89 |
XLogP   | 2.273 |
HDA   | 7 |
HBD   | 3 |
Rotatable Bonds   | 10 |
TPSA   | 116.22 |
RO5 Violation   | 0 |