Drug ID:   | NPD2097 |
Drug Name:   | Amoxicillin Sodium |
Molecular Formula:   | C16H19N3O5S.Na |
Canonical SMILES:   | N[C@@H](C(=N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)O)c1ccc(cc1)[O-].[Na+] |
Standard InCHI:   | InChI=1S/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1 |
Standard InCHIKey:   | BYHDFCISJXIVBV-YWUHCJSESA-M |
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 |
---|---|---|
High Similarity | 0.9167 | NPC315388 |
High Similarity | 0.8912 | NPC468984 |
Intermediate Similarity | 0.8323 | NPC13470 |
Intermediate Similarity | 0.7963 | NPC323336 |
Intermediate Similarity | 0.7963 | NPC326349 |
Intermediate Similarity | 0.7746 | NPC153554 |
Intermediate Similarity | 0.7736 | NPC128237 |
Intermediate Similarity | 0.7736 | NPC83790 |
Intermediate Similarity | 0.7679 | NPC61004 |
Intermediate Similarity | 0.7643 | NPC476989 |
Intermediate Similarity | 0.7628 | NPC242159 |
Intermediate Similarity | 0.7628 | NPC313694 |
Intermediate Similarity | 0.7625 | NPC16188 |
Intermediate Similarity | 0.7607 | NPC56685 |
Intermediate Similarity | 0.7584 | NPC4910 |
Intermediate Similarity | 0.7584 | NPC329731 |
Intermediate Similarity | 0.7562 | NPC81026 |
Intermediate Similarity | 0.7515 | NPC473580 |
Intermediate Similarity | 0.7515 | NPC476268 |
Intermediate Similarity | 0.7515 | NPC63931 |
Intermediate Similarity | 0.75 | NPC266741 |
Intermediate Similarity | 0.75 | NPC262166 |
Intermediate Similarity | 0.75 | NPC261934 |
Intermediate Similarity | 0.75 | NPC5194 |
Intermediate Similarity | 0.7485 | NPC129486 |
Intermediate Similarity | 0.7442 | NPC475204 |
Intermediate Similarity | 0.7442 | NPC475123 |
Intermediate Similarity | 0.744 | NPC469243 |
Intermediate Similarity | 0.7439 | NPC233702 |
Intermediate Similarity | 0.7432 | NPC59827 |
Intermediate Similarity | 0.7432 | NPC184933 |
Intermediate Similarity | 0.741 | NPC244509 |
Intermediate Similarity | 0.7403 | NPC300315 |
Intermediate Similarity | 0.7401 | NPC477637 |
Intermediate Similarity | 0.7399 | NPC89831 |
Intermediate Similarity | 0.7394 | NPC202198 |
Intermediate Similarity | 0.7378 | NPC473491 |
Intermediate Similarity | 0.7378 | NPC324081 |
Intermediate Similarity | 0.7356 | NPC475532 |
Intermediate Similarity | 0.7337 | NPC475544 |
Intermediate Similarity | 0.7314 | NPC165285 |
Intermediate Similarity | 0.7312 | NPC477527 |
Intermediate Similarity | 0.731 | NPC223207 |
Intermediate Similarity | 0.731 | NPC472923 |
Intermediate Similarity | 0.7294 | NPC241794 |
Intermediate Similarity | 0.7284 | NPC471680 |
Intermediate Similarity | 0.7284 | NPC322878 |
Intermediate Similarity | 0.7278 | NPC244336 |
Intermediate Similarity | 0.7268 | NPC477526 |
Intermediate Similarity | 0.7267 | NPC304074 |
Intermediate Similarity | 0.7267 | NPC471771 |
Intermediate Similarity | 0.7267 | NPC290755 |
Intermediate Similarity | 0.7246 | NPC39431 |
Intermediate Similarity | 0.7241 | NPC274198 |
Intermediate Similarity | 0.7241 | NPC46009 |
Intermediate Similarity | 0.7241 | NPC198254 |
Intermediate Similarity | 0.7225 | NPC328649 |
Intermediate Similarity | 0.7216 | NPC471165 |
Intermediate Similarity | 0.7216 | NPC17698 |
Intermediate Similarity | 0.7197 | NPC326966 |
Intermediate Similarity | 0.7179 | NPC325651 |
Intermediate Similarity | 0.7171 | NPC27581 |
Intermediate Similarity | 0.7159 | NPC137627 |
Intermediate Similarity | 0.7151 | NPC477632 |
Intermediate Similarity | 0.7151 | NPC477638 |
Intermediate Similarity | 0.7143 | NPC276506 |
Intermediate Similarity | 0.712 | NPC477636 |
Intermediate Similarity | 0.7119 | NPC26108 |
Intermediate Similarity | 0.7091 | NPC311658 |
Intermediate Similarity | 0.7089 | NPC257390 |
Intermediate Similarity | 0.7086 | NPC280022 |
Intermediate Similarity | 0.7081 | NPC89489 |
Intermediate Similarity | 0.7079 | NPC196243 |
Intermediate Similarity | 0.7076 | NPC287757 |
Intermediate Similarity | 0.7076 | NPC319320 |
Intermediate Similarity | 0.7062 | NPC273755 |
Intermediate Similarity | 0.7062 | NPC306804 |
Intermediate Similarity | 0.7062 | NPC478005 |
Intermediate Similarity | 0.7045 | NPC40234 |
Intermediate Similarity | 0.7043 | NPC477631 |
Intermediate Similarity | 0.7037 | NPC48202 |
Intermediate Similarity | 0.7029 | NPC294516 |
Intermediate Similarity | 0.7029 | NPC302597 |
Intermediate Similarity | 0.7029 | NPC107938 |
Intermediate Similarity | 0.7029 | NPC209463 |
Intermediate Similarity | 0.7029 | NPC141957 |
Intermediate Similarity | 0.7022 | NPC476227 |
Intermediate Similarity | 0.7019 | NPC109580 |
Intermediate Similarity | 0.7011 | NPC94862 |
Remote Similarity | 0.6995 | NPC299806 |
Remote Similarity | 0.6989 | NPC186617 |
Remote Similarity | 0.6983 | NPC50016 |
Remote Similarity | 0.6974 | NPC319950 |
Remote Similarity | 0.6971 | NPC254700 |
Remote Similarity | 0.6966 | NPC248670 |
Remote Similarity | 0.6962 | NPC478147 |
Remote Similarity | 0.6961 | NPC39822 |
Remote Similarity | 0.6954 | NPC191863 |
Remote Similarity | 0.6954 | NPC289776 |
Remote Similarity | 0.6954 | NPC133470 |
Remote Similarity | 0.6949 | NPC473693 |
Remote Similarity | 0.6949 | NPC471568 |
Remote Similarity | 0.6948 | NPC474862 |
Remote Similarity | 0.6946 | NPC189908 |
Remote Similarity | 0.6939 | NPC145178 |
Remote Similarity | 0.6939 | NPC14877 |
Remote Similarity | 0.6939 | NPC475350 |
Remote Similarity | 0.6933 | NPC238412 |
Remote Similarity | 0.6932 | NPC473502 |
Remote Similarity | 0.6931 | NPC477639 |
Remote Similarity | 0.6931 | NPC478007 |
Remote Similarity | 0.6923 | NPC473404 |
Remote Similarity | 0.691 | NPC230611 |
Remote Similarity | 0.691 | NPC328494 |
Remote Similarity | 0.6906 | NPC194671 |
Remote Similarity | 0.6906 | NPC97526 |
Remote Similarity | 0.6906 | NPC475421 |
Remote Similarity | 0.6906 | NPC119652 |
Remote Similarity | 0.6906 | NPC45037 |
Remote Similarity | 0.6906 | NPC269750 |
Remote Similarity | 0.6872 | NPC246303 |
Remote Similarity | 0.6867 | NPC315266 |
Remote Similarity | 0.6863 | NPC478008 |
Remote Similarity | 0.6863 | NPC283760 |
Remote Similarity | 0.6845 | NPC105717 |
Remote Similarity | 0.6842 | NPC329295 |
Remote Similarity | 0.6834 | NPC251036 |
Remote Similarity | 0.6833 | NPC155506 |
Remote Similarity | 0.6833 | NPC473402 |
Remote Similarity | 0.6833 | NPC159767 |
Remote Similarity | 0.6833 | NPC473354 |
Remote Similarity | 0.6833 | NPC279871 |
Remote Similarity | 0.6833 | NPC158277 |
Remote Similarity | 0.6832 | NPC244866 |
Remote Similarity | 0.6815 | NPC171372 |
Remote Similarity | 0.6811 | NPC315542 |
Remote Similarity | 0.681 | NPC471265 |
Remote Similarity | 0.681 | NPC471264 |
Remote Similarity | 0.6805 | NPC283783 |
Remote Similarity | 0.6795 | NPC6975 |
Remote Similarity | 0.6793 | NPC470903 |
Remote Similarity | 0.6793 | NPC167763 |
Remote Similarity | 0.6793 | NPC470112 |
Remote Similarity | 0.6792 | NPC296712 |
Remote Similarity | 0.6791 | NPC102959 |
Remote Similarity | 0.6788 | NPC197921 |
Remote Similarity | 0.6774 | NPC202521 |
Remote Similarity | 0.6774 | NPC71684 |
Remote Similarity | 0.6765 | NPC7817 |
Remote Similarity | 0.6765 | NPC20755 |
Remote Similarity | 0.6765 | NPC475168 |
Remote Similarity | 0.676 | NPC196091 |
Remote Similarity | 0.6757 | NPC302235 |
Remote Similarity | 0.6755 | NPC60516 |
Remote Similarity | 0.6755 | NPC240130 |
Remote Similarity | 0.6755 | NPC61332 |
Remote Similarity | 0.6747 | NPC91953 |
Remote Similarity | 0.6747 | NPC469360 |
Remote Similarity | 0.674 | NPC326407 |
Remote Similarity | 0.674 | NPC136797 |
Remote Similarity | 0.674 | NPC317725 |
Remote Similarity | 0.674 | NPC317362 |
Remote Similarity | 0.674 | NPC318930 |
Remote Similarity | 0.6739 | NPC476321 |
Remote Similarity | 0.6731 | NPC252878 |
Remote Similarity | 0.6731 | NPC142577 |
Remote Similarity | 0.6711 | NPC317254 |
Remote Similarity | 0.671 | NPC476990 |
Remote Similarity | 0.671 | NPC200964 |
Remote Similarity | 0.6707 | NPC315283 |
Remote Similarity | 0.6707 | NPC6570 |
Remote Similarity | 0.6707 | NPC314388 |
Remote Similarity | 0.6704 | NPC66490 |
Remote Similarity | 0.6703 | NPC471526 |
Remote Similarity | 0.6688 | NPC46427 |
Remote Similarity | 0.6687 | NPC469666 |
Remote Similarity | 0.6687 | NPC269398 |
Remote Similarity | 0.6687 | NPC263493 |
Remote Similarity | 0.6686 | NPC286551 |
Remote Similarity | 0.6684 | NPC75498 |
Remote Similarity | 0.6682 | NPC475196 |
Remote Similarity | 0.6667 | NPC188867 |
Remote Similarity | 0.6667 | NPC92784 |
Remote Similarity | 0.6667 | NPC470884 |
Remote Similarity | 0.6667 | NPC98424 |
Remote Similarity | 0.6667 | NPC209509 |
Remote Similarity | 0.6667 | NPC470544 |
Remote Similarity | 0.6667 | NPC471050 |
Remote Similarity | 0.6667 | NPC281686 |
Remote Similarity | 0.6667 | NPC313867 |
Remote Similarity | 0.6667 | NPC106551 |
Remote Similarity | 0.6667 | NPC178662 |
Remote Similarity | 0.6667 | NPC471048 |
Remote Similarity | 0.6667 | NPC324702 |
Remote Similarity | 0.6667 | NPC56634 |
Remote Similarity | 0.6667 | NPC476133 |
Remote Similarity | 0.6667 | NPC316008 |
Remote Similarity | 0.6667 | NPC471049 |
Remote Similarity | 0.6649 | NPC302715 |
Remote Similarity | 0.6649 | NPC96275 |
Molecular Weight   | 364.10 |
ALogP   | -1.6546 |
MLogP   | 2.23 |
XLogP   | -2.141 |
HDA   | 7 |
HBD   | 3 |
Rotatable Bonds   | 10 |
TPSA   | 164.58 |
RO5 Violation   | 0 |