Drug Information

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

  Structural Similarity Between NPASS Natural Products and NPD1581

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.


  Similar Natural Products

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

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

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