Drug Information

Drug ID:  NPD304
Drug Name:  Phenformin Hydrochloride
Molecular Formula:  C10H15N5.ClH
Canonical SMILES:  N=C(NC(=N)N)NCCc1ccccc1.Cl
Standard InCHI:  InChI=1S/C10H15N5.ClH/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H6,11,12,13,14,15);1H
Standard InCHIKey:  YSUCWSWKRIOILX-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD304

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 0.8519 NPC139658
Intermediate Similarity 0.8152 NPC7067
Intermediate Similarity 0.8152 NPC322040
Intermediate Similarity 0.8152 NPC469330
Intermediate Similarity 0.8125 NPC229235
Intermediate Similarity 0.7882 NPC12857
Intermediate Similarity 0.7831 NPC112609
Intermediate Similarity 0.7831 NPC122327
Intermediate Similarity 0.7831 NPC113000
Intermediate Similarity 0.7789 NPC471319
Intermediate Similarity 0.7789 NPC471320
Intermediate Similarity 0.7753 NPC169016
Intermediate Similarity 0.7738 NPC276699
Intermediate Similarity 0.7684 NPC108339
Intermediate Similarity 0.7582 NPC258046
Intermediate Similarity 0.7558 NPC325662
Intermediate Similarity 0.7558 NPC290638
Intermediate Similarity 0.7558 NPC98269
Intermediate Similarity 0.75 NPC244738
Intermediate Similarity 0.747 NPC219246
Intermediate Similarity 0.7326 NPC98976
Intermediate Similarity 0.7253 NPC119677
Intermediate Similarity 0.7241 NPC271642
Intermediate Similarity 0.7174 NPC133162
Intermediate Similarity 0.7011 NPC299134
Remote Similarity 0.697 NPC329430
Remote Similarity 0.6882 NPC104070
Remote Similarity 0.6882 NPC474088
Remote Similarity 0.6848 NPC231986
Remote Similarity 0.6667 NPC314141
Remote Similarity 0.6625 NPC198841
Remote Similarity 0.6604 NPC469974
Remote Similarity 0.6598 NPC471638
Remote Similarity 0.6571 NPC329375
Remote Similarity 0.6571 NPC327226
Remote Similarity 0.6548 NPC50266
Remote Similarity 0.6543 NPC120441
Remote Similarity 0.6543 NPC300345
Remote Similarity 0.6543 NPC65873
Remote Similarity 0.6543 NPC212114
Remote Similarity 0.65 NPC149436
Remote Similarity 0.6495 NPC203076
Remote Similarity 0.6449 NPC147000
Remote Similarity 0.6449 NPC150254
Remote Similarity 0.6449 NPC226778
Remote Similarity 0.6449 NPC304761
Remote Similarity 0.6449 NPC275467
Remote Similarity 0.6429 NPC60408
Remote Similarity 0.6429 NPC473031
Remote Similarity 0.642 NPC269586
Remote Similarity 0.641 NPC326232
Remote Similarity 0.6389 NPC67043
Remote Similarity 0.6373 NPC246757
Remote Similarity 0.6373 NPC291070
Remote Similarity 0.6364 NPC12429
Remote Similarity 0.6356 NPC273830
Remote Similarity 0.6339 NPC275410
Remote Similarity 0.6337 NPC470926
Remote Similarity 0.6337 NPC245259
Remote Similarity 0.6337 NPC226438
Remote Similarity 0.6311 NPC20142
Remote Similarity 0.6311 NPC215351
Remote Similarity 0.631 NPC210849
Remote Similarity 0.631 NPC248705
Remote Similarity 0.631 NPC54368
Remote Similarity 0.631 NPC310758
Remote Similarity 0.631 NPC150196
Remote Similarity 0.631 NPC246588
Remote Similarity 0.631 NPC238023
Remote Similarity 0.631 NPC135924
Remote Similarity 0.63 NPC470877
Remote Similarity 0.6296 NPC277704
Remote Similarity 0.6275 NPC473661
Remote Similarity 0.627 NPC267237
Remote Similarity 0.6265 NPC8235
Remote Similarity 0.6265 NPC114327
Remote Similarity 0.6265 NPC36357
Remote Similarity 0.6263 NPC305602
Remote Similarity 0.6263 NPC17497
Remote Similarity 0.626 NPC311753
Remote Similarity 0.625 NPC14326
Remote Similarity 0.625 NPC25565
Remote Similarity 0.625 NPC317400
Remote Similarity 0.6238 NPC121872
Remote Similarity 0.6238 NPC191444
Remote Similarity 0.6238 NPC141139
Remote Similarity 0.6238 NPC316108
Remote Similarity 0.6238 NPC159178
Remote Similarity 0.6238 NPC74936
Remote Similarity 0.6238 NPC209764
Remote Similarity 0.6238 NPC471307
Remote Similarity 0.6238 NPC78041
Remote Similarity 0.6235 NPC22786
Remote Similarity 0.6235 NPC71009
Remote Similarity 0.6235 NPC66517
Remote Similarity 0.6235 NPC29680
Remote Similarity 0.623 NPC477937
Remote Similarity 0.6222 NPC125144
Remote Similarity 0.6222 NPC121708
Remote Similarity 0.622 NPC314835
Remote Similarity 0.6216 NPC77294
Remote Similarity 0.6216 NPC164802
Remote Similarity 0.6211 NPC475573
Remote Similarity 0.6211 NPC475289
Remote Similarity 0.6211 NPC192623
Remote Similarity 0.6207 NPC125416
Remote Similarity 0.6204 NPC474430
Remote Similarity 0.6204 NPC164859
Remote Similarity 0.62 NPC30445
Remote Similarity 0.619 NPC169110
Remote Similarity 0.619 NPC473501
Remote Similarity 0.619 NPC122493
Remote Similarity 0.619 NPC475439
Remote Similarity 0.619 NPC293628
Remote Similarity 0.619 NPC147062
Remote Similarity 0.619 NPC10781
Remote Similarity 0.619 NPC472258
Remote Similarity 0.6182 NPC327481
Remote Similarity 0.618 NPC200936
Remote Similarity 0.6163 NPC21211
Remote Similarity 0.6163 NPC113670
Remote Similarity 0.6163 NPC88566
Remote Similarity 0.6161 NPC24777
Remote Similarity 0.6154 NPC303045
Remote Similarity 0.6154 NPC161972
Remote Similarity 0.6139 NPC176858
Remote Similarity 0.6132 NPC317642
Remote Similarity 0.6132 NPC108606
Remote Similarity 0.6132 NPC164514
Remote Similarity 0.6132 NPC290515
Remote Similarity 0.6132 NPC303611
Remote Similarity 0.6132 NPC226096
Remote Similarity 0.61 NPC262295
Remote Similarity 0.6098 NPC252794
Remote Similarity 0.6092 NPC291066
Remote Similarity 0.6092 NPC155172
Remote Similarity 0.6092 NPC198023
Remote Similarity 0.6092 NPC32312
Remote Similarity 0.6078 NPC172128
Remote Similarity 0.6077 NPC214988
Remote Similarity 0.6077 NPC48202
Remote Similarity 0.6075 NPC125732
Remote Similarity 0.6071 NPC64270
Remote Similarity 0.6061 NPC3210
Remote Similarity 0.6058 NPC71140
Remote Similarity 0.6058 NPC471309
Remote Similarity 0.6048 NPC145754
Remote Similarity 0.6047 NPC200745
Remote Similarity 0.6042 NPC309279
Remote Similarity 0.604 NPC111233
Remote Similarity 0.6038 NPC324569
Remote Similarity 0.6038 NPC311242
Remote Similarity 0.6036 NPC473498
Remote Similarity 0.6023 NPC178527
Remote Similarity 0.602 NPC134825
Remote Similarity 0.6016 NPC52764
Remote Similarity 0.6 NPC474584
Remote Similarity 0.6 NPC256452
Remote Similarity 0.6 NPC58674
Remote Similarity 0.5985 NPC168861
Remote Similarity 0.5983 NPC101139
Remote Similarity 0.5981 NPC322598
Remote Similarity 0.598 NPC173991
Remote Similarity 0.5977 NPC45756
Remote Similarity 0.597 NPC314114
Remote Similarity 0.5965 NPC319579
Remote Similarity 0.5962 NPC108800
Remote Similarity 0.5957 NPC110264
Remote Similarity 0.5955 NPC52330
Remote Similarity 0.5955 NPC267443
Remote Similarity 0.5955 NPC6107
Remote Similarity 0.5946 NPC143516
Remote Similarity 0.5932 NPC313673
Remote Similarity 0.593 NPC45255
Remote Similarity 0.5929 NPC302790
Remote Similarity 0.5923 NPC237227
Remote Similarity 0.5913 NPC329011
Remote Similarity 0.5909 NPC68055
Remote Similarity 0.5897 NPC113099
Remote Similarity 0.5893 NPC474804
Remote Similarity 0.5893 NPC130898
Remote Similarity 0.5893 NPC474973
Remote Similarity 0.5882 NPC325441
Remote Similarity 0.5872 NPC155847
Remote Similarity 0.5872 NPC289381
Remote Similarity 0.5872 NPC214200
Remote Similarity 0.5872 NPC228400
Remote Similarity 0.5872 NPC474582
Remote Similarity 0.5856 NPC194390
Remote Similarity 0.5856 NPC88267
Remote Similarity 0.5856 NPC224610
Remote Similarity 0.5856 NPC113326
Remote Similarity 0.5847 NPC213
Remote Similarity 0.5847 NPC288232
Remote Similarity 0.5847 NPC10286
Remote Similarity 0.5843 NPC113837
Remote Similarity 0.5843 NPC36440
Remote Similarity 0.5843 NPC289915
Remote Similarity 0.5833 NPC125746
Remote Similarity 0.5833 NPC197045

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  205.13
ALogP  -0.1605
MLogP  2.01
XLogP  3.683
HDA  5
HBD  5
Rotatable Bonds  7
TPSA  97.78
RO5 Violation  0