Drug Information

Drug ID:  NPD2014
Drug Name:  Cephalexin Hydrate
Molecular Formula:  C16H17N3O4S.H2O
Canonical SMILES:  N[C@@H](C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C)O)c1ccccc1.O
Standard InCHI:  InChI=1S/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1
Standard InCHIKey:  AVGYWQBCYZHHPN-CYJZLJNKSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2014

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 1.0 NPC13470
High Similarity 0.9013 NPC315388
High Similarity 0.9007 NPC468984
Intermediate Similarity 0.7419 NPC471680
Intermediate Similarity 0.7333 NPC189116
Intermediate Similarity 0.7315 NPC300315
Intermediate Similarity 0.7241 NPC71684
Intermediate Similarity 0.7211 NPC22746
Intermediate Similarity 0.7208 NPC77992
Intermediate Similarity 0.7197 NPC322878
Intermediate Similarity 0.717 NPC105717
Intermediate Similarity 0.7133 NPC470544
Intermediate Similarity 0.7083 NPC470545
Intermediate Similarity 0.7034 NPC470546
Intermediate Similarity 0.7014 NPC239357
Remote Similarity 0.6994 NPC286551
Remote Similarity 0.6993 NPC33742
Remote Similarity 0.6987 NPC89489
Remote Similarity 0.6987 NPC132636
Remote Similarity 0.6971 NPC153554
Remote Similarity 0.6952 NPC143325
Remote Similarity 0.6933 NPC101719
Remote Similarity 0.6918 NPC220698
Remote Similarity 0.6914 NPC254798
Remote Similarity 0.6908 NPC469666
Remote Similarity 0.6894 NPC83790
Remote Similarity 0.6894 NPC128237
Remote Similarity 0.6894 NPC311658
Remote Similarity 0.6883 NPC246079
Remote Similarity 0.6871 NPC475168
Remote Similarity 0.6871 NPC7817
Remote Similarity 0.6867 NPC222466
Remote Similarity 0.6826 NPC326349
Remote Similarity 0.6826 NPC323336
Remote Similarity 0.6815 NPC127741
Remote Similarity 0.6807 NPC469903
Remote Similarity 0.6797 NPC111428
Remote Similarity 0.6795 NPC474473
Remote Similarity 0.6788 NPC473341
Remote Similarity 0.6781 NPC14672
Remote Similarity 0.6781 NPC315276
Remote Similarity 0.6781 NPC285926
Remote Similarity 0.6779 NPC202521
Remote Similarity 0.6774 NPC325479
Remote Similarity 0.677 NPC266741
Remote Similarity 0.6747 NPC470902
Remote Similarity 0.6746 NPC469243
Remote Similarity 0.6743 NPC317725
Remote Similarity 0.6743 NPC326407
Remote Similarity 0.6743 NPC318930
Remote Similarity 0.6743 NPC317362
Remote Similarity 0.6728 NPC81026
Remote Similarity 0.6711 NPC476990
Remote Similarity 0.6711 NPC474479
Remote Similarity 0.6708 NPC315283
Remote Similarity 0.6708 NPC314388
Remote Similarity 0.6707 NPC473580
Remote Similarity 0.669 NPC35850
Remote Similarity 0.669 NPC276949
Remote Similarity 0.6689 NPC6975
Remote Similarity 0.6688 NPC473322
Remote Similarity 0.6687 NPC135121
Remote Similarity 0.6667 NPC315266
Remote Similarity 0.6667 NPC477217
Remote Similarity 0.6667 NPC242159
Remote Similarity 0.6667 NPC313694
Remote Similarity 0.6667 NPC201244
Remote Similarity 0.6667 NPC327481
Remote Similarity 0.6667 NPC313867
Remote Similarity 0.6667 NPC316008
Remote Similarity 0.6647 NPC475544
Remote Similarity 0.6647 NPC469902
Remote Similarity 0.6628 NPC223207
Remote Similarity 0.6626 NPC314358
Remote Similarity 0.6625 NPC163392
Remote Similarity 0.6625 NPC476259
Remote Similarity 0.6625 NPC239762
Remote Similarity 0.6623 NPC319766
Remote Similarity 0.6623 NPC252878
Remote Similarity 0.6621 NPC474584
Remote Similarity 0.6606 NPC283783
Remote Similarity 0.6604 NPC68865
Remote Similarity 0.6604 NPC471264
Remote Similarity 0.6604 NPC471265
Remote Similarity 0.66 NPC302169
Remote Similarity 0.66 NPC200964
Remote Similarity 0.6597 NPC319579
Remote Similarity 0.6591 NPC248670
Remote Similarity 0.659 NPC304074
Remote Similarity 0.659 NPC471771
Remote Similarity 0.659 NPC61004
Remote Similarity 0.659 NPC290755
Remote Similarity 0.6584 NPC476989
Remote Similarity 0.6584 NPC263493
Remote Similarity 0.6584 NPC168113
Remote Similarity 0.6584 NPC269398
Remote Similarity 0.6579 NPC46427
Remote Similarity 0.6564 NPC209509
Remote Similarity 0.6558 NPC477937
Remote Similarity 0.6552 NPC329011
Remote Similarity 0.655 NPC114806
Remote Similarity 0.6548 NPC39431
Remote Similarity 0.6543 NPC161069
Remote Similarity 0.6543 NPC139326
Remote Similarity 0.6543 NPC176226
Remote Similarity 0.6543 NPC197682
Remote Similarity 0.6541 NPC477526
Remote Similarity 0.6532 NPC63931
Remote Similarity 0.6497 NPC255447
Remote Similarity 0.6497 NPC130309
Remote Similarity 0.6491 NPC24617
Remote Similarity 0.6486 NPC329961
Remote Similarity 0.6486 NPC122427
Remote Similarity 0.6486 NPC197470
Remote Similarity 0.6485 NPC16188
Remote Similarity 0.6481 NPC469427
Remote Similarity 0.6481 NPC469426
Remote Similarity 0.6477 NPC274198
Remote Similarity 0.6477 NPC46009
Remote Similarity 0.6477 NPC198254
Remote Similarity 0.6474 NPC133470
Remote Similarity 0.6474 NPC191863
Remote Similarity 0.6474 NPC289776
Remote Similarity 0.6471 NPC474082
Remote Similarity 0.6471 NPC175726
Remote Similarity 0.6467 NPC324081
Remote Similarity 0.6467 NPC329731
Remote Similarity 0.646 NPC476133
Remote Similarity 0.646 NPC470884
Remote Similarity 0.646 NPC98424
Remote Similarity 0.646 NPC178662
Remote Similarity 0.646 NPC92784
Remote Similarity 0.6456 NPC326966
Remote Similarity 0.6454 NPC164859
Remote Similarity 0.6438 NPC475013
Remote Similarity 0.6433 NPC325651
Remote Similarity 0.6429 NPC233702
Remote Similarity 0.6424 NPC473804
Remote Similarity 0.642 NPC469904
Remote Similarity 0.6416 NPC68650
Remote Similarity 0.6407 NPC2501
Remote Similarity 0.6402 NPC52748
Remote Similarity 0.6391 NPC122590
Remote Similarity 0.6391 NPC56685
Remote Similarity 0.6389 NPC14849
Remote Similarity 0.6387 NPC4974
Remote Similarity 0.6386 NPC145113
Remote Similarity 0.6386 NPC119569
Remote Similarity 0.6386 NPC225648
Remote Similarity 0.6386 NPC329761
Remote Similarity 0.6386 NPC138775
Remote Similarity 0.6384 NPC475123
Remote Similarity 0.6384 NPC475204
Remote Similarity 0.6384 NPC276506
Remote Similarity 0.6379 NPC471052
Remote Similarity 0.6379 NPC471051
Remote Similarity 0.6379 NPC471053
Remote Similarity 0.6378 NPC4910
Remote Similarity 0.6378 NPC478005
Remote Similarity 0.6375 NPC141050
Remote Similarity 0.6374 NPC477637
Remote Similarity 0.6369 NPC473491
Remote Similarity 0.6369 NPC158277
Remote Similarity 0.6364 NPC476198
Remote Similarity 0.6364 NPC5620
Remote Similarity 0.6364 NPC67043
Remote Similarity 0.6358 NPC477557
Remote Similarity 0.6358 NPC287358
Remote Similarity 0.6358 NPC154478
Remote Similarity 0.6358 NPC471527
Remote Similarity 0.6358 NPC314992
Remote Similarity 0.6358 NPC473003
Remote Similarity 0.6358 NPC469901
Remote Similarity 0.6354 NPC269750
Remote Similarity 0.6354 NPC194671
Remote Similarity 0.6353 NPC473002
Remote Similarity 0.6352 NPC257390
Remote Similarity 0.6351 NPC476048
Remote Similarity 0.6349 NPC184933
Remote Similarity 0.6349 NPC59827
Remote Similarity 0.6347 NPC9373
Remote Similarity 0.6337 NPC84317
Remote Similarity 0.6333 NPC2265
Remote Similarity 0.6333 NPC196243
Remote Similarity 0.6331 NPC300443
Remote Similarity 0.633 NPC165538
Remote Similarity 0.6329 NPC200589
Remote Similarity 0.6328 NPC129486
Remote Similarity 0.6328 NPC473000
Remote Similarity 0.6316 NPC244509
Remote Similarity 0.6316 NPC476268
Remote Similarity 0.6313 NPC273755
Remote Similarity 0.6313 NPC475532
Remote Similarity 0.6313 NPC306804
Remote Similarity 0.6312 NPC287401
Remote Similarity 0.6304 NPC161972
Remote Similarity 0.6304 NPC303045
Remote Similarity 0.6303 NPC476978
Remote Similarity 0.6301 NPC1390
Remote Similarity 0.6301 NPC469898

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  347.09
ALogP  -0.8185
MLogP  2.34
XLogP  -1.005
HDA  7
HBD  3
Rotatable Bonds  8
TPSA  141.52
RO5 Violation  0