Drug Information

Drug ID:  NPD9186
Drug Name:  Mafenide
Molecular Formula:  C7H10N2O2S
Canonical SMILES:  NCc1ccc(cc1)S(=O)(=O)N
Standard InCHI:  InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
Standard InCHIKey:  TYMRLRRVMHJFTF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9186

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
Intermediate Similarity 0.8 NPC317400
Intermediate Similarity 0.7927 NPC219246
Intermediate Similarity 0.7882 NPC35599
Intermediate Similarity 0.7882 NPC302129
Intermediate Similarity 0.7386 NPC98269
Intermediate Similarity 0.7386 NPC325662
Intermediate Similarity 0.7368 NPC315403
Intermediate Similarity 0.7303 NPC12857
Intermediate Similarity 0.7294 NPC229235
Intermediate Similarity 0.7241 NPC299134
Intermediate Similarity 0.7097 NPC119677
Intermediate Similarity 0.7045 NPC112609
Intermediate Similarity 0.7045 NPC122327
Intermediate Similarity 0.7045 NPC113000
Remote Similarity 0.6966 NPC98976
Remote Similarity 0.6966 NPC276699
Remote Similarity 0.6932 NPC244738
Remote Similarity 0.6903 NPC476440
Remote Similarity 0.6889 NPC139658
Remote Similarity 0.6889 NPC271642
Remote Similarity 0.686 NPC181786
Remote Similarity 0.6842 NPC169016
Remote Similarity 0.6813 NPC290638
Remote Similarity 0.6804 NPC43655
Remote Similarity 0.6701 NPC258046
Remote Similarity 0.6667 NPC181390
Remote Similarity 0.6667 NPC107135
Remote Similarity 0.6556 NPC212463
Remote Similarity 0.6505 NPC108339
Remote Similarity 0.6442 NPC471320
Remote Similarity 0.6442 NPC471319
Remote Similarity 0.6408 NPC469330
Remote Similarity 0.6392 NPC104070
Remote Similarity 0.6392 NPC474088
Remote Similarity 0.6353 NPC45255
Remote Similarity 0.63 NPC473031
Remote Similarity 0.63 NPC262295
Remote Similarity 0.627 NPC32858
Remote Similarity 0.627 NPC194857
Remote Similarity 0.625 NPC322040
Remote Similarity 0.6204 NPC328793
Remote Similarity 0.619 NPC329430
Remote Similarity 0.618 NPC52330
Remote Similarity 0.6176 NPC173991
Remote Similarity 0.6176 NPC470877
Remote Similarity 0.6154 NPC473661
Remote Similarity 0.6145 NPC149436
Remote Similarity 0.6145 NPC277704
Remote Similarity 0.6139 NPC471638
Remote Similarity 0.6117 NPC471307
Remote Similarity 0.6117 NPC209764
Remote Similarity 0.6117 NPC191444
Remote Similarity 0.6117 NPC74936
Remote Similarity 0.6117 NPC121872
Remote Similarity 0.6117 NPC78041
Remote Similarity 0.6117 NPC159178
Remote Similarity 0.6117 NPC141139
Remote Similarity 0.6087 NPC121708
Remote Similarity 0.6087 NPC125144
Remote Similarity 0.6082 NPC475573
Remote Similarity 0.6082 NPC475289
Remote Similarity 0.6078 NPC111233
Remote Similarity 0.6078 NPC30445
Remote Similarity 0.6071 NPC269586
Remote Similarity 0.6071 NPC198841
Remote Similarity 0.6067 NPC36440
Remote Similarity 0.6055 NPC29601
Remote Similarity 0.6023 NPC50266
Remote Similarity 0.6019 NPC176858
Remote Similarity 0.6 NPC212114
Remote Similarity 0.6 NPC65873
Remote Similarity 0.6 NPC300345
Remote Similarity 0.6 NPC120441
Remote Similarity 0.598 NPC53492
Remote Similarity 0.598 NPC60408
Remote Similarity 0.5943 NPC7067
Remote Similarity 0.5943 NPC291070
Remote Similarity 0.5943 NPC471309
Remote Similarity 0.5943 NPC246757
Remote Similarity 0.593 NPC8235
Remote Similarity 0.593 NPC36357
Remote Similarity 0.593 NPC114327
Remote Similarity 0.5926 NPC122493
Remote Similarity 0.5926 NPC10781
Remote Similarity 0.5926 NPC293628
Remote Similarity 0.5922 NPC297532
Remote Similarity 0.5905 NPC470926
Remote Similarity 0.5905 NPC245259
Remote Similarity 0.5905 NPC226438
Remote Similarity 0.5895 NPC301874
Remote Similarity 0.5893 NPC469974
Remote Similarity 0.5888 NPC20142
Remote Similarity 0.5888 NPC215351
Remote Similarity 0.5882 NPC218710
Remote Similarity 0.5882 NPC203076
Remote Similarity 0.587 NPC5324
Remote Similarity 0.5862 NPC147062
Remote Similarity 0.5862 NPC169110
Remote Similarity 0.5859 NPC231986
Remote Similarity 0.5849 NPC108800
Remote Similarity 0.5842 NPC133162
Remote Similarity 0.5839 NPC313850
Remote Similarity 0.5825 NPC305602
Remote Similarity 0.5825 NPC17497
Remote Similarity 0.5814 NPC469807
Remote Similarity 0.581 NPC78154
Remote Similarity 0.5806 NPC271732
Remote Similarity 0.5804 NPC164859
Remote Similarity 0.5795 NPC248705
Remote Similarity 0.5795 NPC238023
Remote Similarity 0.5795 NPC210849
Remote Similarity 0.5795 NPC135924
Remote Similarity 0.5795 NPC246588
Remote Similarity 0.5795 NPC310758
Remote Similarity 0.5795 NPC54368
Remote Similarity 0.5795 NPC150196
Remote Similarity 0.5794 NPC71140
Remote Similarity 0.5781 NPC328590
Remote Similarity 0.578 NPC324569
Remote Similarity 0.5776 NPC172046
Remote Similarity 0.5769 NPC12429
Remote Similarity 0.5758 NPC192623
Remote Similarity 0.5758 NPC309279
Remote Similarity 0.5747 NPC64270
Remote Similarity 0.5741 NPC161972
Remote Similarity 0.5741 NPC303045
Remote Similarity 0.573 NPC71009
Remote Similarity 0.573 NPC22786
Remote Similarity 0.573 NPC200745
Remote Similarity 0.573 NPC66517
Remote Similarity 0.573 NPC29680
Remote Similarity 0.5727 NPC226096
Remote Similarity 0.5727 NPC164514
Remote Similarity 0.5727 NPC290515
Remote Similarity 0.5727 NPC303611
Remote Similarity 0.5727 NPC108606
Remote Similarity 0.5699 NPC200936
Remote Similarity 0.5688 NPC25565
Remote Similarity 0.5682 NPC147578
Remote Similarity 0.5676 NPC125732
Remote Similarity 0.5667 NPC21211
Remote Similarity 0.5667 NPC113670
Remote Similarity 0.5667 NPC88566
Remote Similarity 0.5664 NPC202613
Remote Similarity 0.5664 NPC471317
Remote Similarity 0.566 NPC316108
Remote Similarity 0.566 NPC172128
Remote Similarity 0.5656 NPC254088
Remote Similarity 0.5652 NPC327481
Remote Similarity 0.5644 NPC14326
Remote Similarity 0.5636 NPC475439
Remote Similarity 0.5636 NPC311242
Remote Similarity 0.5636 NPC473501
Remote Similarity 0.5631 NPC3210
Remote Similarity 0.5625 NPC66775
Remote Similarity 0.562 NPC101139
Remote Similarity 0.5618 NPC200624
Remote Similarity 0.5604 NPC198023
Remote Similarity 0.5604 NPC155172
Remote Similarity 0.5604 NPC291066
Remote Similarity 0.5604 NPC32312

Drug Structure

External Identifiers

TTD   DIB010472
DrugBank   DB06795
ChEMBL   CHEMBL419
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D02351
PubChem CID  
ChEBI   6633
CAS Number  138-39-6

Drug Properties

Molecular Weight  186.05
ALogP  -1.6748
MLogP  1.68
XLogP  -0.207
HDA  4
HBD  2
Rotatable Bonds  4
TPSA  94.56
RO5 Violation  0