Drug Information

Drug ID:  NPD9118
Drug Name:  Sodium Ascorbate
Molecular Formula:  C6H8O6.Na
Canonical SMILES:  OC[C@@H]([C@H]1OC(=O)C(=C1[O-])O)O.[Na+]
Standard InCHI:  InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1
Standard InCHIKey:  PPASLZSBLFJQEF-RXSVEWSESA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9118

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 NPC319423
High Similarity 0.9815 NPC187770
Intermediate Similarity 0.7895 NPC327103
Intermediate Similarity 0.7812 NPC276299
Intermediate Similarity 0.7656 NPC470123
Intermediate Similarity 0.726 NPC179933
Intermediate Similarity 0.7213 NPC230296
Intermediate Similarity 0.7121 NPC19769
Intermediate Similarity 0.7077 NPC475073
Remote Similarity 0.6875 NPC302564
Remote Similarity 0.6866 NPC282760
Remote Similarity 0.6812 NPC63873
Remote Similarity 0.678 NPC107703
Remote Similarity 0.6765 NPC475555
Remote Similarity 0.6765 NPC475675
Remote Similarity 0.6765 NPC201356
Remote Similarity 0.6716 NPC470808
Remote Similarity 0.6712 NPC478193
Remote Similarity 0.6712 NPC478196
Remote Similarity 0.6712 NPC478195
Remote Similarity 0.6712 NPC478194
Remote Similarity 0.6712 NPC478191
Remote Similarity 0.6712 NPC478192
Remote Similarity 0.6667 NPC318481
Remote Similarity 0.6667 NPC122627
Remote Similarity 0.662 NPC202011
Remote Similarity 0.6618 NPC476589
Remote Similarity 0.6618 NPC273600
Remote Similarity 0.6618 NPC96414
Remote Similarity 0.6615 NPC97570
Remote Similarity 0.6613 NPC135537
Remote Similarity 0.6575 NPC473489
Remote Similarity 0.6575 NPC326504
Remote Similarity 0.6522 NPC37382
Remote Similarity 0.6494 NPC47653
Remote Similarity 0.6491 NPC75134
Remote Similarity 0.6486 NPC473582
Remote Similarity 0.6486 NPC161038
Remote Similarity 0.6479 NPC475982
Remote Similarity 0.6471 NPC471611
Remote Similarity 0.6452 NPC116366
Remote Similarity 0.6418 NPC26810
Remote Similarity 0.64 NPC470705
Remote Similarity 0.6364 NPC99651
Remote Similarity 0.6351 NPC107654
Remote Similarity 0.6338 NPC238223
Remote Similarity 0.6324 NPC473737
Remote Similarity 0.6316 NPC474026
Remote Similarity 0.6316 NPC275530
Remote Similarity 0.6286 NPC478101
Remote Similarity 0.6286 NPC146811
Remote Similarity 0.6269 NPC98519
Remote Similarity 0.625 NPC130618
Remote Similarity 0.6234 NPC248775
Remote Similarity 0.6232 NPC148233
Remote Similarity 0.6232 NPC25747
Remote Similarity 0.6197 NPC132286
Remote Similarity 0.6197 NPC478100
Remote Similarity 0.619 NPC477781
Remote Similarity 0.619 NPC477780
Remote Similarity 0.6184 NPC301207
Remote Similarity 0.6184 NPC209113
Remote Similarity 0.6184 NPC127118
Remote Similarity 0.6154 NPC470149
Remote Similarity 0.6154 NPC180725
Remote Similarity 0.6154 NPC1180
Remote Similarity 0.6154 NPC470148
Remote Similarity 0.6143 NPC478099
Remote Similarity 0.6143 NPC478098
Remote Similarity 0.6133 NPC114727
Remote Similarity 0.6133 NPC315843
Remote Similarity 0.6133 NPC474280
Remote Similarity 0.6133 NPC476590
Remote Similarity 0.6125 NPC474959
Remote Similarity 0.6125 NPC475046
Remote Similarity 0.6125 NPC310450
Remote Similarity 0.6125 NPC11383
Remote Similarity 0.6111 NPC474823
Remote Similarity 0.6104 NPC474818
Remote Similarity 0.6104 NPC51809
Remote Similarity 0.6104 NPC176329
Remote Similarity 0.6104 NPC49302
Remote Similarity 0.6104 NPC475711
Remote Similarity 0.6104 NPC125365
Remote Similarity 0.6081 NPC178575
Remote Similarity 0.6076 NPC470147
Remote Similarity 0.6076 NPC133226
Remote Similarity 0.6056 NPC124586
Remote Similarity 0.6056 NPC470033
Remote Similarity 0.6053 NPC473948
Remote Similarity 0.6049 NPC286770
Remote Similarity 0.6049 NPC284472
Remote Similarity 0.6049 NPC229799
Remote Similarity 0.6029 NPC130953
Remote Similarity 0.6029 NPC26223
Remote Similarity 0.6027 NPC475004
Remote Similarity 0.6026 NPC28049
Remote Similarity 0.6026 NPC279214
Remote Similarity 0.6026 NPC221095
Remote Similarity 0.6026 NPC473471
Remote Similarity 0.6 NPC284006
Remote Similarity 0.6 NPC297440
Remote Similarity 0.6 NPC308457
Remote Similarity 0.5976 NPC163093
Remote Similarity 0.5974 NPC203277
Remote Similarity 0.5972 NPC25298
Remote Similarity 0.5972 NPC478097
Remote Similarity 0.5968 NPC275316
Remote Similarity 0.5952 NPC178215
Remote Similarity 0.5952 NPC45409
Remote Similarity 0.5946 NPC476012
Remote Similarity 0.5946 NPC476037
Remote Similarity 0.5942 NPC55376
Remote Similarity 0.5942 NPC15193
Remote Similarity 0.5926 NPC251026
Remote Similarity 0.5915 NPC476586
Remote Similarity 0.5904 NPC107986
Remote Similarity 0.5904 NPC477014
Remote Similarity 0.5904 NPC471567
Remote Similarity 0.5904 NPC231009
Remote Similarity 0.5904 NPC110710
Remote Similarity 0.5904 NPC223871
Remote Similarity 0.5904 NPC473651
Remote Similarity 0.5904 NPC477013
Remote Similarity 0.5904 NPC103284
Remote Similarity 0.5904 NPC120398
Remote Similarity 0.5904 NPC473669
Remote Similarity 0.5904 NPC1083
Remote Similarity 0.5904 NPC473478
Remote Similarity 0.5904 NPC82795
Remote Similarity 0.5904 NPC286338
Remote Similarity 0.5904 NPC283085
Remote Similarity 0.5904 NPC132496
Remote Similarity 0.5904 NPC66346
Remote Similarity 0.5904 NPC182383
Remote Similarity 0.5897 NPC474278
Remote Similarity 0.589 NPC287705
Remote Similarity 0.589 NPC310210
Remote Similarity 0.589 NPC475760
Remote Similarity 0.5882 NPC286189
Remote Similarity 0.5882 NPC21208
Remote Similarity 0.5882 NPC280621
Remote Similarity 0.5882 NPC233551
Remote Similarity 0.5882 NPC20339
Remote Similarity 0.5882 NPC40376
Remote Similarity 0.5882 NPC48338
Remote Similarity 0.5875 NPC121374
Remote Similarity 0.5867 NPC293114
Remote Similarity 0.5867 NPC316185
Remote Similarity 0.5862 NPC327760
Remote Similarity 0.5857 NPC474774
Remote Similarity 0.5857 NPC68110
Remote Similarity 0.5857 NPC474723
Remote Similarity 0.5857 NPC474729
Remote Similarity 0.5854 NPC315559
Remote Similarity 0.5854 NPC473315
Remote Similarity 0.5854 NPC142111
Remote Similarity 0.5833 NPC171174
Remote Similarity 0.5833 NPC473687
Remote Similarity 0.5833 NPC107717
Remote Similarity 0.5833 NPC134865
Remote Similarity 0.5833 NPC103523
Remote Similarity 0.5833 NPC142117
Remote Similarity 0.5833 NPC219498
Remote Similarity 0.5833 NPC240695
Remote Similarity 0.5833 NPC47937
Remote Similarity 0.5833 NPC477015
Remote Similarity 0.5833 NPC210218
Remote Similarity 0.5833 NPC69082
Remote Similarity 0.5833 NPC134807
Remote Similarity 0.5833 NPC308412
Remote Similarity 0.5833 NPC204686
Remote Similarity 0.5833 NPC112685
Remote Similarity 0.5833 NPC114694
Remote Similarity 0.5833 NPC475581
Remote Similarity 0.5833 NPC279267
Remote Similarity 0.5833 NPC248125
Remote Similarity 0.5833 NPC231096
Remote Similarity 0.5833 NPC62118
Remote Similarity 0.5833 NPC134885
Remote Similarity 0.5833 NPC232555
Remote Similarity 0.5823 NPC477314
Remote Similarity 0.5823 NPC279532
Remote Similarity 0.5823 NPC209135
Remote Similarity 0.5823 NPC474816
Remote Similarity 0.5821 NPC135863
Remote Similarity 0.5802 NPC150502
Remote Similarity 0.5802 NPC469469
Remote Similarity 0.5797 NPC321919
Remote Similarity 0.5797 NPC81896
Remote Similarity 0.5789 NPC329890
Remote Similarity 0.5789 NPC329914
Remote Similarity 0.5789 NPC327383
Remote Similarity 0.5789 NPC144419
Remote Similarity 0.5789 NPC185186
Remote Similarity 0.5783 NPC156804
Remote Similarity 0.5783 NPC30915
Remote Similarity 0.5783 NPC473308
Remote Similarity 0.5775 NPC475221
Remote Similarity 0.5775 NPC114464

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  175.02
ALogP  -2.4371
MLogP  1.46
XLogP  -0.178
HDA  6
HBD  3
Rotatable Bonds  6
TPSA  110.05
RO5 Violation  0