Drug Information

Drug ID:  NPD3353
Drug Name:  Folic Acid
Molecular Formula:  C19H19N7O6
Canonical SMILES:  OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(=N)[nH]2
Standard InCHI:  InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
Standard InCHIKey:  OVBPIULPVIDEAO-LBPRGKRZSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3353

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 NPC147983
High Similarity 1.0 NPC177996
Intermediate Similarity 0.7979 NPC248862
Intermediate Similarity 0.7979 NPC328611
Intermediate Similarity 0.7897 NPC14849
Intermediate Similarity 0.7857 NPC147298
Intermediate Similarity 0.7857 NPC131450
Intermediate Similarity 0.7857 NPC182057
Intermediate Similarity 0.7227 NPC471194
Intermediate Similarity 0.7227 NPC471193
Intermediate Similarity 0.7182 NPC72956
Intermediate Similarity 0.7149 NPC153980
Intermediate Similarity 0.7149 NPC6865
Intermediate Similarity 0.713 NPC471192
Intermediate Similarity 0.7104 NPC54981
Intermediate Similarity 0.709 NPC74619
Intermediate Similarity 0.7064 NPC473376
Intermediate Similarity 0.7056 NPC116622
Intermediate Similarity 0.7046 NPC295452
Intermediate Similarity 0.7046 NPC171393
Intermediate Similarity 0.7019 NPC285923
Remote Similarity 0.697 NPC476491
Remote Similarity 0.6968 NPC71238
Remote Similarity 0.6957 NPC40530
Remote Similarity 0.6957 NPC314281
Remote Similarity 0.6938 NPC228835
Remote Similarity 0.6923 NPC89987
Remote Similarity 0.6913 NPC229893
Remote Similarity 0.6913 NPC64216
Remote Similarity 0.691 NPC69843
Remote Similarity 0.6897 NPC323244
Remote Similarity 0.6895 NPC57398
Remote Similarity 0.6892 NPC116555
Remote Similarity 0.6872 NPC238945
Remote Similarity 0.6851 NPC328924
Remote Similarity 0.6849 NPC471944
Remote Similarity 0.6847 NPC41717
Remote Similarity 0.684 NPC17059
Remote Similarity 0.6827 NPC11126
Remote Similarity 0.6822 NPC210123
Remote Similarity 0.6816 NPC476524
Remote Similarity 0.6814 NPC282247
Remote Similarity 0.6814 NPC54744
Remote Similarity 0.6806 NPC202812
Remote Similarity 0.6787 NPC317701
Remote Similarity 0.6786 NPC472070
Remote Similarity 0.6777 NPC477003
Remote Similarity 0.6777 NPC207851
Remote Similarity 0.6771 NPC243850
Remote Similarity 0.6769 NPC281049
Remote Similarity 0.6767 NPC476817
Remote Similarity 0.6725 NPC267811
Remote Similarity 0.6714 NPC62749
Remote Similarity 0.6712 NPC474916
Remote Similarity 0.6711 NPC477979
Remote Similarity 0.671 NPC272174
Remote Similarity 0.6696 NPC470786
Remote Similarity 0.6696 NPC471155
Remote Similarity 0.6683 NPC154478
Remote Similarity 0.668 NPC477420
Remote Similarity 0.668 NPC477418
Remote Similarity 0.6667 NPC84317
Remote Similarity 0.6667 NPC311282
Remote Similarity 0.6667 NPC273532
Remote Similarity 0.6667 NPC270241
Remote Similarity 0.6667 NPC99939
Remote Similarity 0.6667 NPC308931
Remote Similarity 0.6652 NPC471191
Remote Similarity 0.6652 NPC225400
Remote Similarity 0.6636 NPC94752
Remote Similarity 0.6623 NPC118940
Remote Similarity 0.6623 NPC469717
Remote Similarity 0.6622 NPC472538
Remote Similarity 0.6621 NPC79356
Remote Similarity 0.6621 NPC102592
Remote Similarity 0.6621 NPC472540
Remote Similarity 0.6621 NPC470787
Remote Similarity 0.6621 NPC472539
Remote Similarity 0.662 NPC83111
Remote Similarity 0.662 NPC469489
Remote Similarity 0.662 NPC21429
Remote Similarity 0.6609 NPC474896
Remote Similarity 0.6606 NPC103361
Remote Similarity 0.6606 NPC293917
Remote Similarity 0.6605 NPC278434
Remote Similarity 0.6593 NPC266249
Remote Similarity 0.6593 NPC476525
Remote Similarity 0.6592 NPC472069
Remote Similarity 0.6592 NPC472062
Remote Similarity 0.6592 NPC472063
Remote Similarity 0.6591 NPC141454
Remote Similarity 0.6591 NPC472541
Remote Similarity 0.6591 NPC473814
Remote Similarity 0.6591 NPC472542
Remote Similarity 0.6591 NPC74153
Remote Similarity 0.6591 NPC78767
Remote Similarity 0.6588 NPC256268
Remote Similarity 0.6588 NPC283219
Remote Similarity 0.6587 NPC302647
Remote Similarity 0.6586 NPC314882
Remote Similarity 0.6581 NPC478141
Remote Similarity 0.6581 NPC327095
Remote Similarity 0.6581 NPC312942
Remote Similarity 0.6581 NPC31097
Remote Similarity 0.6579 NPC320968
Remote Similarity 0.6579 NPC82370
Remote Similarity 0.6578 NPC472064
Remote Similarity 0.6575 NPC93390
Remote Similarity 0.6573 NPC243058
Remote Similarity 0.6567 NPC251391
Remote Similarity 0.656 NPC216550
Remote Similarity 0.6558 NPC476527
Remote Similarity 0.6557 NPC73994
Remote Similarity 0.6557 NPC16659
Remote Similarity 0.6553 NPC40455
Remote Similarity 0.6549 NPC244741
Remote Similarity 0.6544 NPC324091
Remote Similarity 0.6542 NPC203635
Remote Similarity 0.654 NPC219848
Remote Similarity 0.654 NPC186351
Remote Similarity 0.6537 NPC470731
Remote Similarity 0.6537 NPC470732
Remote Similarity 0.6535 NPC123839
Remote Similarity 0.6535 NPC120070
Remote Similarity 0.6532 NPC313421
Remote Similarity 0.6532 NPC284338
Remote Similarity 0.653 NPC473821
Remote Similarity 0.6525 NPC19170
Remote Similarity 0.6524 NPC315804
Remote Similarity 0.6524 NPC313804
Remote Similarity 0.6524 NPC469938
Remote Similarity 0.6514 NPC476460
Remote Similarity 0.6512 NPC133003
Remote Similarity 0.6509 NPC248041
Remote Similarity 0.6509 NPC265710
Remote Similarity 0.6509 NPC126709
Remote Similarity 0.6508 NPC63109
Remote Similarity 0.65 NPC135950
Remote Similarity 0.6495 NPC270834
Remote Similarity 0.6491 NPC478158
Remote Similarity 0.6489 NPC165599
Remote Similarity 0.6482 NPC302159
Remote Similarity 0.6482 NPC478006
Remote Similarity 0.6481 NPC90415
Remote Similarity 0.648 NPC471536
Remote Similarity 0.6479 NPC24864
Remote Similarity 0.6479 NPC61011
Remote Similarity 0.6479 NPC91179
Remote Similarity 0.6476 NPC477976
Remote Similarity 0.6473 NPC98864
Remote Similarity 0.6471 NPC213914
Remote Similarity 0.6466 NPC322064
Remote Similarity 0.6465 NPC46895
Remote Similarity 0.6463 NPC316224
Remote Similarity 0.6462 NPC217372
Remote Similarity 0.6462 NPC15573
Remote Similarity 0.6462 NPC240088
Remote Similarity 0.6462 NPC473380
Remote Similarity 0.6462 NPC183662
Remote Similarity 0.6459 NPC315467
Remote Similarity 0.6458 NPC475969
Remote Similarity 0.6458 NPC475859
Remote Similarity 0.6458 NPC474877
Remote Similarity 0.6455 NPC326422
Remote Similarity 0.6446 NPC182222
Remote Similarity 0.6445 NPC203468
Remote Similarity 0.6445 NPC149155
Remote Similarity 0.6445 NPC110500
Remote Similarity 0.6445 NPC469529
Remote Similarity 0.6444 NPC182507
Remote Similarity 0.6444 NPC297862
Remote Similarity 0.6444 NPC156003
Remote Similarity 0.6441 NPC220851
Remote Similarity 0.6441 NPC106824
Remote Similarity 0.6441 NPC167710
Remote Similarity 0.6438 NPC472285
Remote Similarity 0.6438 NPC471197
Remote Similarity 0.6438 NPC473763
Remote Similarity 0.6438 NPC27041
Remote Similarity 0.6438 NPC117244
Remote Similarity 0.6438 NPC312645
Remote Similarity 0.6434 NPC478009
Remote Similarity 0.6434 NPC478010
Remote Similarity 0.6432 NPC478039
Remote Similarity 0.6432 NPC472065
Remote Similarity 0.6432 NPC219336
Remote Similarity 0.6425 NPC294693
Remote Similarity 0.6425 NPC113056
Remote Similarity 0.6425 NPC138293
Remote Similarity 0.6422 NPC478157
Remote Similarity 0.6422 NPC213629
Remote Similarity 0.6422 NPC321708
Remote Similarity 0.6418 NPC282531
Remote Similarity 0.6418 NPC123906
Remote Similarity 0.6417 NPC477176
Remote Similarity 0.6417 NPC470730
Remote Similarity 0.6417 NPC477175
Remote Similarity 0.6417 NPC470729
Remote Similarity 0.6416 NPC143325
Remote Similarity 0.6415 NPC267885

Drug Structure

External Identifiers

TTD   DAP001309
DrugBank   DB00158
ChEMBL   CHEMBL1622
IUPHAR/BPS  
PharmaGKB   PA449692
KEGG Drug   D00070
PubChem CID   6037
ChEBI   27470
CAS Number  59-30-3

Drug Properties

Molecular Weight  441.14
ALogP  -2.6195
MLogP  2.12
XLogP  0.045
HDA  13
HBD  7
Rotatable Bonds  13
TPSA  209.98
RO5 Violation  2