Drug Information

Drug ID:  NPD308
Drug Name:  Edrophonium Chloride
Molecular Formula:  C10H15NO.ClH
Canonical SMILES:  CC[N+](c1cccc(c1)[O-])(C)C.Cl
Standard InCHI:  InChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H
Standard InCHIKey:  BXKDSDJJOVIHMX-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD308

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 0.8142 NPC9336
Intermediate Similarity 0.7928 NPC256838
Intermediate Similarity 0.7826 NPC226914
Intermediate Similarity 0.7414 NPC76327
Intermediate Similarity 0.7288 NPC255721
Intermediate Similarity 0.7193 NPC70201
Intermediate Similarity 0.7103 NPC469428
Intermediate Similarity 0.7069 NPC311660
Intermediate Similarity 0.7049 NPC264782
Remote Similarity 0.6911 NPC322735
Remote Similarity 0.687 NPC250476
Remote Similarity 0.6855 NPC329190
Remote Similarity 0.6833 NPC44836
Remote Similarity 0.68 NPC204867
Remote Similarity 0.6755 NPC299582
Remote Similarity 0.669 NPC144691
Remote Similarity 0.6667 NPC134825
Remote Similarity 0.6667 NPC222982
Remote Similarity 0.6667 NPC329358
Remote Similarity 0.6667 NPC36168
Remote Similarity 0.6667 NPC231382
Remote Similarity 0.6667 NPC476462
Remote Similarity 0.661 NPC289381
Remote Similarity 0.661 NPC155847
Remote Similarity 0.6573 NPC260601
Remote Similarity 0.6571 NPC469828
Remote Similarity 0.6556 NPC285635
Remote Similarity 0.6544 NPC314098
Remote Similarity 0.6525 NPC204156
Remote Similarity 0.6522 NPC184437
Remote Similarity 0.65 NPC166667
Remote Similarity 0.6471 NPC326792
Remote Similarity 0.6447 NPC120798
Remote Similarity 0.6433 NPC477185
Remote Similarity 0.6429 NPC24954
Remote Similarity 0.6429 NPC70172
Remote Similarity 0.6415 NPC477187
Remote Similarity 0.6408 NPC47986
Remote Similarity 0.6405 NPC230942
Remote Similarity 0.6405 NPC79911
Remote Similarity 0.6405 NPC315498
Remote Similarity 0.6396 NPC229477
Remote Similarity 0.6389 NPC308197
Remote Similarity 0.6387 NPC75496
Remote Similarity 0.6377 NPC476687
Remote Similarity 0.6377 NPC476685
Remote Similarity 0.6377 NPC476689
Remote Similarity 0.6358 NPC315257
Remote Similarity 0.6352 NPC225857
Remote Similarity 0.6346 NPC1527
Remote Similarity 0.6338 NPC476475
Remote Similarity 0.6335 NPC70092
Remote Similarity 0.6335 NPC298320
Remote Similarity 0.6333 NPC29601
Remote Similarity 0.633 NPC307456
Remote Similarity 0.6327 NPC161292
Remote Similarity 0.629 NPC20322
Remote Similarity 0.6281 NPC291610
Remote Similarity 0.6273 NPC72980
Remote Similarity 0.6266 NPC258773
Remote Similarity 0.6259 NPC146370
Remote Similarity 0.625 NPC151489
Remote Similarity 0.6241 NPC317872
Remote Similarity 0.6234 NPC25899
Remote Similarity 0.6226 NPC73280
Remote Similarity 0.6225 NPC26872
Remote Similarity 0.6222 NPC315632
Remote Similarity 0.6216 NPC15839
Remote Similarity 0.6212 NPC321869
Remote Similarity 0.6211 NPC96890
Remote Similarity 0.6194 NPC199737
Remote Similarity 0.6194 NPC177404
Remote Similarity 0.6174 NPC242000
Remote Similarity 0.6169 NPC84508
Remote Similarity 0.6167 NPC313918
Remote Similarity 0.6164 NPC60553
Remote Similarity 0.6164 NPC85482
Remote Similarity 0.6164 NPC168750
Remote Similarity 0.6159 NPC153769
Remote Similarity 0.6159 NPC172403
Remote Similarity 0.6143 NPC313466
Remote Similarity 0.6139 NPC33507
Remote Similarity 0.6138 NPC280853
Remote Similarity 0.6131 NPC473569
Remote Similarity 0.6129 NPC93653
Remote Similarity 0.6125 NPC474409
Remote Similarity 0.6122 NPC470394
Remote Similarity 0.6122 NPC470403
Remote Similarity 0.6122 NPC470404
Remote Similarity 0.6121 NPC84478
Remote Similarity 0.6115 NPC471178
Remote Similarity 0.6115 NPC226662
Remote Similarity 0.6111 NPC285941
Remote Similarity 0.6104 NPC26850
Remote Similarity 0.6099 NPC208757
Remote Similarity 0.6098 NPC474430
Remote Similarity 0.6098 NPC178902
Remote Similarity 0.6096 NPC285016
Remote Similarity 0.6096 NPC245657
Remote Similarity 0.6095 NPC22476
Remote Similarity 0.6095 NPC215445
Remote Similarity 0.6095 NPC1820
Remote Similarity 0.6095 NPC203628
Remote Similarity 0.609 NPC48192
Remote Similarity 0.6087 NPC95898
Remote Similarity 0.6074 NPC287152
Remote Similarity 0.6074 NPC94174
Remote Similarity 0.6071 NPC477186
Remote Similarity 0.6069 NPC471596
Remote Similarity 0.6065 NPC301163
Remote Similarity 0.6059 NPC473004
Remote Similarity 0.6056 NPC91615
Remote Similarity 0.6056 NPC297584
Remote Similarity 0.6056 NPC253476
Remote Similarity 0.6053 NPC219383
Remote Similarity 0.6053 NPC184161
Remote Similarity 0.6051 NPC473057
Remote Similarity 0.6049 NPC473432
Remote Similarity 0.604 NPC470395
Remote Similarity 0.6037 NPC39822
Remote Similarity 0.6036 NPC474059
Remote Similarity 0.6032 NPC37584
Remote Similarity 0.6023 NPC106937
Remote Similarity 0.6016 NPC95977
Remote Similarity 0.6014 NPC318965
Remote Similarity 0.6014 NPC173295
Remote Similarity 0.6012 NPC46580
Remote Similarity 0.6012 NPC127082
Remote Similarity 0.6 NPC220523
Remote Similarity 0.6 NPC116573
Remote Similarity 0.6 NPC118776
Remote Similarity 0.6 NPC313362
Remote Similarity 0.6 NPC476518
Remote Similarity 0.5987 NPC124542
Remote Similarity 0.5987 NPC471177
Remote Similarity 0.5987 NPC59779
Remote Similarity 0.5986 NPC174421
Remote Similarity 0.5986 NPC302171
Remote Similarity 0.5986 NPC301702
Remote Similarity 0.5986 NPC33338
Remote Similarity 0.5986 NPC300020
Remote Similarity 0.5986 NPC208022
Remote Similarity 0.5985 NPC217277
Remote Similarity 0.5984 NPC125732
Remote Similarity 0.5973 NPC471598
Remote Similarity 0.5972 NPC122542
Remote Similarity 0.5971 NPC476950
Remote Similarity 0.5969 NPC21890
Remote Similarity 0.5968 NPC68055
Remote Similarity 0.5966 NPC476483
Remote Similarity 0.5965 NPC114039
Remote Similarity 0.5965 NPC206109
Remote Similarity 0.5964 NPC212535
Remote Similarity 0.5963 NPC112336
Remote Similarity 0.5963 NPC14651
Remote Similarity 0.5963 NPC471604
Remote Similarity 0.5963 NPC121658
Remote Similarity 0.5963 NPC474814
Remote Similarity 0.596 NPC257142
Remote Similarity 0.5957 NPC160193
Remote Similarity 0.5957 NPC473987
Remote Similarity 0.5954 NPC303214
Remote Similarity 0.5952 NPC231705
Remote Similarity 0.5948 NPC297532
Remote Similarity 0.5942 NPC325013
Remote Similarity 0.594 NPC137096
Remote Similarity 0.5929 NPC212125
Remote Similarity 0.5928 NPC62069
Remote Similarity 0.5926 NPC111624
Remote Similarity 0.5926 NPC471294
Remote Similarity 0.5918 NPC43477
Remote Similarity 0.5918 NPC314682
Remote Similarity 0.5906 NPC142297
Remote Similarity 0.5904 NPC190461
Remote Similarity 0.5901 NPC471778
Remote Similarity 0.5899 NPC476249
Remote Similarity 0.5896 NPC243626
Remote Similarity 0.5896 NPC85276
Remote Similarity 0.5896 NPC230313
Remote Similarity 0.5893 NPC94943
Remote Similarity 0.5893 NPC249405
Remote Similarity 0.5893 NPC473007
Remote Similarity 0.5886 NPC100863
Remote Similarity 0.5886 NPC133470
Remote Similarity 0.5886 NPC191863
Remote Similarity 0.5886 NPC289776
Remote Similarity 0.5878 NPC328750
Remote Similarity 0.5878 NPC57051
Remote Similarity 0.5878 NPC470925
Remote Similarity 0.5878 NPC474915
Remote Similarity 0.5878 NPC213206
Remote Similarity 0.5878 NPC188163
Remote Similarity 0.5878 NPC318935
Remote Similarity 0.5875 NPC108469
Remote Similarity 0.5873 NPC42383
Remote Similarity 0.5871 NPC63562
Remote Similarity 0.5867 NPC470824
Remote Similarity 0.5864 NPC471648
Remote Similarity 0.5862 NPC13880
Remote Similarity 0.5862 NPC472193

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  165.12
ALogP  -1.6807
MLogP  2.34
XLogP  1.664
HDA  0
HBD  0
Rotatable Bonds  6
TPSA  23.06
RO5 Violation  0