Drug ID:   | NPD1581 |
Drug Name:   | Cefaclor Hydrate |
Molecular Formula:   | C15H14ClN3O4S.H2O |
Canonical SMILES:   | N[C@@H](C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)Cl)O)c1ccccc1.O |
Standard InCHI:   | InChI=1S/C15H14ClN3O4S.H2O/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7;/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23);1H2/t9-,10-,14-;/m1./s1 |
Standard InCHIKey:   | WKJGTOYAEQDNIA-IOOZKYRYSA-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 |
---|---|---|
High Similarity | 0.9571 | NPC13470 |
High Similarity | 0.8645 | NPC315388 |
High Similarity | 0.8611 | NPC468984 |
Intermediate Similarity | 0.7089 | NPC471680 |
Intermediate Similarity | 0.7024 | NPC189116 |
Remote Similarity | 0.6974 | NPC300315 |
Remote Similarity | 0.6892 | NPC71684 |
Remote Similarity | 0.6879 | NPC77992 |
Remote Similarity | 0.6875 | NPC322878 |
Remote Similarity | 0.6867 | NPC22746 |
Remote Similarity | 0.6852 | NPC105717 |
Remote Similarity | 0.6781 | NPC470544 |
Remote Similarity | 0.6772 | NPC143325 |
Remote Similarity | 0.6735 | NPC470545 |
Remote Similarity | 0.6689 | NPC470546 |
Remote Similarity | 0.6688 | NPC469666 |
Remote Similarity | 0.6687 | NPC286551 |
Remote Similarity | 0.6685 | NPC153554 |
Remote Similarity | 0.6667 | NPC315276 |
Remote Similarity | 0.6667 | NPC239357 |
Remote Similarity | 0.6667 | NPC89489 |
Remote Similarity | 0.6667 | NPC132636 |
Remote Similarity | 0.6667 | NPC14672 |
Remote Similarity | 0.6667 | NPC285926 |
Remote Similarity | 0.6644 | NPC33742 |
Remote Similarity | 0.6606 | NPC254798 |
Remote Similarity | 0.6601 | NPC101719 |
Remote Similarity | 0.6585 | NPC311658 |
Remote Similarity | 0.6585 | NPC128237 |
Remote Similarity | 0.6585 | NPC83790 |
Remote Similarity | 0.6582 | NPC474473 |
Remote Similarity | 0.6577 | NPC220698 |
Remote Similarity | 0.6566 | NPC475168 |
Remote Similarity | 0.6566 | NPC7817 |
Remote Similarity | 0.6562 | NPC313694 |
Remote Similarity | 0.6562 | NPC242159 |
Remote Similarity | 0.6561 | NPC246079 |
Remote Similarity | 0.6536 | NPC222466 |
Remote Similarity | 0.6529 | NPC323336 |
Remote Similarity | 0.6529 | NPC326349 |
Remote Similarity | 0.6509 | NPC469903 |
Remote Similarity | 0.65 | NPC127741 |
Remote Similarity | 0.6494 | NPC474479 |
Remote Similarity | 0.6488 | NPC473341 |
Remote Similarity | 0.6481 | NPC469426 |
Remote Similarity | 0.6481 | NPC469427 |
Remote Similarity | 0.6474 | NPC111428 |
Remote Similarity | 0.6463 | NPC266741 |
Remote Similarity | 0.6461 | NPC318930 |
Remote Similarity | 0.6461 | NPC326407 |
Remote Similarity | 0.6461 | NPC317725 |
Remote Similarity | 0.6461 | NPC317362 |
Remote Similarity | 0.6456 | NPC325479 |
Remote Similarity | 0.6454 | NPC164859 |
Remote Similarity | 0.6453 | NPC469243 |
Remote Similarity | 0.645 | NPC470902 |
Remote Similarity | 0.6447 | NPC202521 |
Remote Similarity | 0.6438 | NPC329011 |
Remote Similarity | 0.6434 | NPC327481 |
Remote Similarity | 0.6424 | NPC81026 |
Remote Similarity | 0.6412 | NPC473580 |
Remote Similarity | 0.6402 | NPC315283 |
Remote Similarity | 0.6402 | NPC314388 |
Remote Similarity | 0.6386 | NPC135121 |
Remote Similarity | 0.6382 | NPC476990 |
Remote Similarity | 0.637 | NPC319579 |
Remote Similarity | 0.6369 | NPC473322 |
Remote Similarity | 0.6364 | NPC6975 |
Remote Similarity | 0.6364 | NPC316008 |
Remote Similarity | 0.6364 | NPC175726 |
Remote Similarity | 0.6364 | NPC315266 |
Remote Similarity | 0.6364 | NPC477217 |
Remote Similarity | 0.6364 | NPC474082 |
Remote Similarity | 0.6364 | NPC313867 |
Remote Similarity | 0.6364 | NPC201244 |
Remote Similarity | 0.6358 | NPC475544 |
Remote Similarity | 0.6358 | NPC469902 |
Remote Similarity | 0.6351 | NPC35850 |
Remote Similarity | 0.6351 | NPC276949 |
Remote Similarity | 0.6343 | NPC223207 |
Remote Similarity | 0.6325 | NPC314358 |
Remote Similarity | 0.6319 | NPC476259 |
Remote Similarity | 0.6319 | NPC239762 |
Remote Similarity | 0.6319 | NPC163392 |
Remote Similarity | 0.6313 | NPC248670 |
Remote Similarity | 0.631 | NPC283783 |
Remote Similarity | 0.6307 | NPC471771 |
Remote Similarity | 0.6307 | NPC61004 |
Remote Similarity | 0.6307 | NPC290755 |
Remote Similarity | 0.6307 | NPC304074 |
Remote Similarity | 0.6306 | NPC319766 |
Remote Similarity | 0.6299 | NPC252878 |
Remote Similarity | 0.6299 | NPC27581 |
Remote Similarity | 0.6296 | NPC471265 |
Remote Similarity | 0.6296 | NPC68865 |
Remote Similarity | 0.6296 | NPC471264 |
Remote Similarity | 0.6284 | NPC474584 |
Remote Similarity | 0.628 | NPC263493 |
Remote Similarity | 0.628 | NPC168113 |
Remote Similarity | 0.628 | NPC476989 |
Remote Similarity | 0.628 | NPC269398 |
Remote Similarity | 0.6277 | NPC477526 |
Remote Similarity | 0.6275 | NPC302169 |
Remote Similarity | 0.6275 | NPC200964 |
Remote Similarity | 0.6271 | NPC209463 |
Remote Similarity | 0.6267 | NPC197470 |
Remote Similarity | 0.6265 | NPC209509 |
Remote Similarity | 0.6264 | NPC114806 |
Remote Similarity | 0.6258 | NPC46427 |
Remote Similarity | 0.6257 | NPC39431 |
Remote Similarity | 0.625 | NPC476198 |
Remote Similarity | 0.625 | NPC63931 |
Remote Similarity | 0.625 | NPC67043 |
Remote Similarity | 0.6242 | NPC176226 |
Remote Similarity | 0.6242 | NPC43477 |
Remote Similarity | 0.6242 | NPC161069 |
Remote Similarity | 0.6242 | NPC197682 |
Remote Similarity | 0.6242 | NPC139326 |
Remote Similarity | 0.6242 | NPC477937 |
Remote Similarity | 0.6226 | NPC325651 |
Remote Similarity | 0.6223 | NPC329961 |
Remote Similarity | 0.6223 | NPC122427 |
Remote Similarity | 0.622 | NPC238412 |
Remote Similarity | 0.6216 | NPC275410 |
Remote Similarity | 0.6207 | NPC24617 |
Remote Similarity | 0.6204 | NPC226438 |
Remote Similarity | 0.6203 | NPC329731 |
Remote Similarity | 0.6201 | NPC274198 |
Remote Similarity | 0.6201 | NPC46009 |
Remote Similarity | 0.6201 | NPC198254 |
Remote Similarity | 0.6193 | NPC289776 |
Remote Similarity | 0.6193 | NPC133470 |
Remote Similarity | 0.6193 | NPC191863 |
Remote Similarity | 0.619 | NPC16188 |
Remote Similarity | 0.6188 | NPC255447 |
Remote Similarity | 0.6188 | NPC130309 |
Remote Similarity | 0.6176 | NPC324081 |
Remote Similarity | 0.6159 | NPC98424 |
Remote Similarity | 0.6159 | NPC476133 |
Remote Similarity | 0.6159 | NPC92784 |
Remote Similarity | 0.6159 | NPC470884 |
Remote Similarity | 0.6159 | NPC287358 |
Remote Similarity | 0.6159 | NPC178662 |
Remote Similarity | 0.6154 | NPC98864 |
Remote Similarity | 0.6149 | NPC326966 |
Remote Similarity | 0.6145 | NPC469904 |
Remote Similarity | 0.614 | NPC233702 |
Remote Similarity | 0.6136 | NPC68650 |
Remote Similarity | 0.6131 | NPC258627 |
Remote Similarity | 0.6131 | NPC478005 |
Remote Similarity | 0.6131 | NPC473804 |
Remote Similarity | 0.6127 | NPC12730 |
Remote Similarity | 0.612 | NPC14849 |
Remote Similarity | 0.6118 | NPC2265 |
Remote Similarity | 0.6118 | NPC2501 |
Remote Similarity | 0.6117 | NPC4910 |
Remote Similarity | 0.6111 | NPC475123 |
Remote Similarity | 0.6111 | NPC475204 |
Remote Similarity | 0.6111 | NPC276506 |
Remote Similarity | 0.6108 | NPC477637 |
Remote Similarity | 0.6108 | NPC52748 |
Remote Similarity | 0.6107 | NPC475013 |
Remote Similarity | 0.6105 | NPC56685 |
Remote Similarity | 0.6105 | NPC122590 |
Remote Similarity | 0.6102 | NPC471053 |
Remote Similarity | 0.6102 | NPC471051 |
Remote Similarity | 0.6102 | NPC471052 |
Remote Similarity | 0.6099 | NPC158277 |
Remote Similarity | 0.6099 | NPC328611 |
Remote Similarity | 0.6095 | NPC329761 |
Remote Similarity | 0.6095 | NPC119569 |
Remote Similarity | 0.6095 | NPC225648 |
Remote Similarity | 0.6095 | NPC145113 |
Remote Similarity | 0.6095 | NPC138775 |
Remote Similarity | 0.6094 | NPC184933 |
Remote Similarity | 0.6094 | NPC59827 |
Remote Similarity | 0.6087 | NPC147298 |
Remote Similarity | 0.6087 | NPC182057 |
Remote Similarity | 0.6087 | NPC194671 |
Remote Similarity | 0.6087 | NPC269750 |
Remote Similarity | 0.6087 | NPC131450 |
Remote Similarity | 0.6082 | NPC248782 |
Remote Similarity | 0.6082 | NPC473491 |
Remote Similarity | 0.608 | NPC473003 |
Remote Similarity | 0.608 | NPC471527 |
Remote Similarity | 0.608 | NPC154478 |
Remote Similarity | 0.608 | NPC469901 |
Remote Similarity | 0.6076 | NPC4974 |
Remote Similarity | 0.6074 | NPC141050 |
Remote Similarity | 0.6073 | NPC165538 |
Remote Similarity | 0.6071 | NPC5620 |
Remote Similarity | 0.6071 | NPC303045 |
Remote Similarity | 0.6071 | NPC161972 |
Remote Similarity | 0.6069 | NPC473002 |
Remote Similarity | 0.6066 | NPC196243 |
Remote Similarity | 0.6065 | NPC27833 |
Remote Similarity | 0.6061 | NPC477557 |
Remote Similarity | 0.6059 | NPC9373 |
Remote Similarity | 0.6059 | NPC259678 |
Remote Similarity | 0.6058 | NPC478141 |
Molecular Weight   | 367.04 |
ALogP   | -0.8962 |
MLogP   | 2.12 |
XLogP   | -0.609 |
HDA   | 7 |
HBD   | 3 |
Rotatable Bonds   | 8 |
TPSA   | 141.52 |
RO5 Violation   | 0 |