Drug Information

Drug ID:  NPD9376
Drug Name:  4-Dimethylaminophenol
Molecular Formula:  C8H11NO
Canonical SMILES:  CN(c1ccc(cc1)O)C
Standard InCHI:  InChI=1S/C8H11NO/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
Standard InCHIKey:  JVVRCYWZTJLJSG-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9376

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 0.8785 NPC76327
High Similarity 0.8571 NPC70201
Intermediate Similarity 0.8125 NPC255721
Intermediate Similarity 0.8108 NPC44836
Intermediate Similarity 0.8053 NPC9336
Intermediate Similarity 0.7909 NPC311660
Intermediate Similarity 0.7863 NPC222982
Intermediate Similarity 0.7845 NPC264782
Intermediate Similarity 0.7838 NPC256838
Intermediate Similarity 0.7444 NPC204156
Intermediate Similarity 0.7395 NPC322735
Intermediate Similarity 0.7333 NPC329190
Intermediate Similarity 0.7317 NPC321869
Intermediate Similarity 0.7288 NPC329358
Intermediate Similarity 0.7257 NPC289381
Intermediate Similarity 0.7257 NPC155847
Intermediate Similarity 0.7226 NPC260601
Intermediate Similarity 0.708 NPC476462
Intermediate Similarity 0.7059 NPC47986
Intermediate Similarity 0.7 NPC226914
Remote Similarity 0.6972 NPC144691
Remote Similarity 0.694 NPC91615
Remote Similarity 0.6917 NPC313466
Remote Similarity 0.6879 NPC146370
Remote Similarity 0.6815 NPC184437
Remote Similarity 0.681 NPC29601
Remote Similarity 0.6803 NPC469428
Remote Similarity 0.6779 NPC199737
Remote Similarity 0.6738 NPC470403
Remote Similarity 0.6738 NPC470404
Remote Similarity 0.6738 NPC470394
Remote Similarity 0.6729 NPC15839
Remote Similarity 0.6729 NPC134825
Remote Similarity 0.6716 NPC314098
Remote Similarity 0.6712 NPC36168
Remote Similarity 0.6698 NPC307456
Remote Similarity 0.6695 NPC178902
Remote Similarity 0.6667 NPC250476
Remote Similarity 0.6667 NPC100980
Remote Similarity 0.6643 NPC470395
Remote Similarity 0.662 NPC323798
Remote Similarity 0.6594 NPC122542
Remote Similarity 0.6581 NPC125732
Remote Similarity 0.6556 NPC315498
Remote Similarity 0.6556 NPC230942
Remote Similarity 0.6552 NPC257142
Remote Similarity 0.6547 NPC166667
Remote Similarity 0.6544 NPC476685
Remote Similarity 0.6544 NPC476687
Remote Similarity 0.6544 NPC476689
Remote Similarity 0.6541 NPC151489
Remote Similarity 0.6529 NPC231705
Remote Similarity 0.6525 NPC314113
Remote Similarity 0.6522 NPC317872
Remote Similarity 0.6516 NPC112336
Remote Similarity 0.6516 NPC474814
Remote Similarity 0.6515 NPC315632
Remote Similarity 0.6513 NPC292143
Remote Similarity 0.6513 NPC139506
Remote Similarity 0.6513 NPC204867
Remote Similarity 0.651 NPC315257
Remote Similarity 0.6504 NPC172046
Remote Similarity 0.65 NPC469828
Remote Similarity 0.6496 NPC174421
Remote Similarity 0.649 NPC25899
Remote Similarity 0.6483 NPC220523
Remote Similarity 0.6475 NPC142297
Remote Similarity 0.6475 NPC37584
Remote Similarity 0.6471 NPC70172
Remote Similarity 0.6471 NPC231382
Remote Similarity 0.6452 NPC471778
Remote Similarity 0.6449 NPC253476
Remote Similarity 0.6435 NPC476483
Remote Similarity 0.6434 NPC60553
Remote Similarity 0.6429 NPC316574
Remote Similarity 0.6429 NPC126637
Remote Similarity 0.6419 NPC284348
Remote Similarity 0.6417 NPC68055
Remote Similarity 0.6415 NPC65517
Remote Similarity 0.6396 NPC248817
Remote Similarity 0.6387 NPC326792
Remote Similarity 0.6382 NPC93653
Remote Similarity 0.6371 NPC258056
Remote Similarity 0.637 NPC161292
Remote Similarity 0.6369 NPC477185
Remote Similarity 0.6364 NPC470090
Remote Similarity 0.6352 NPC477187
Remote Similarity 0.634 NPC48192
Remote Similarity 0.6339 NPC197783
Remote Similarity 0.6331 NPC297584
Remote Similarity 0.6328 NPC10286
Remote Similarity 0.6328 NPC213
Remote Similarity 0.632 NPC474149
Remote Similarity 0.6319 NPC168750
Remote Similarity 0.6306 NPC126676
Remote Similarity 0.6306 NPC85482
Remote Similarity 0.6306 NPC265146
Remote Similarity 0.6306 NPC229477
Remote Similarity 0.6306 NPC469671
Remote Similarity 0.6306 NPC124436
Remote Similarity 0.6303 NPC75496
Remote Similarity 0.6296 NPC318965
Remote Similarity 0.629 NPC24101
Remote Similarity 0.629 NPC153690
Remote Similarity 0.629 NPC96224
Remote Similarity 0.6283 NPC184169
Remote Similarity 0.6283 NPC23167
Remote Similarity 0.6283 NPC307235
Remote Similarity 0.6283 NPC407
Remote Similarity 0.6281 NPC178681
Remote Similarity 0.6281 NPC474430
Remote Similarity 0.6277 NPC226662
Remote Similarity 0.6268 NPC476475
Remote Similarity 0.625 NPC118202
Remote Similarity 0.625 NPC214200
Remote Similarity 0.625 NPC318935
Remote Similarity 0.625 NPC286904
Remote Similarity 0.625 NPC150837
Remote Similarity 0.625 NPC175313
Remote Similarity 0.625 NPC116573
Remote Similarity 0.625 NPC228400
Remote Similarity 0.6239 NPC204932
Remote Similarity 0.6234 NPC124542
Remote Similarity 0.6234 NPC471177
Remote Similarity 0.6234 NPC59779
Remote Similarity 0.6232 NPC473987
Remote Similarity 0.6231 NPC137096
Remote Similarity 0.6228 NPC25493
Remote Similarity 0.6228 NPC27974
Remote Similarity 0.6228 NPC113460
Remote Similarity 0.6224 NPC472243
Remote Similarity 0.621 NPC20322
Remote Similarity 0.6202 NPC317254
Remote Similarity 0.62 NPC153769
Remote Similarity 0.6195 NPC155393
Remote Similarity 0.619 NPC473769
Remote Similarity 0.6183 NPC85276
Remote Similarity 0.6182 NPC270094
Remote Similarity 0.6182 NPC171171
Remote Similarity 0.6181 NPC280853
Remote Similarity 0.6178 NPC33507
Remote Similarity 0.6174 NPC78154
Remote Similarity 0.6174 NPC177420
Remote Similarity 0.6174 NPC242240
Remote Similarity 0.6174 NPC280347
Remote Similarity 0.6174 NPC123273
Remote Similarity 0.6174 NPC318325
Remote Similarity 0.6174 NPC98772
Remote Similarity 0.6174 NPC258219
Remote Similarity 0.6169 NPC120798
Remote Similarity 0.6159 NPC204717
Remote Similarity 0.6154 NPC215445
Remote Similarity 0.6154 NPC471178
Remote Similarity 0.6154 NPC147957
Remote Similarity 0.6149 NPC184964
Remote Similarity 0.6149 NPC315829
Remote Similarity 0.6148 NPC307020
Remote Similarity 0.6143 NPC33338
Remote Similarity 0.6143 NPC302171
Remote Similarity 0.6143 NPC300020
Remote Similarity 0.6138 NPC285016
Remote Similarity 0.6138 NPC245657
Remote Similarity 0.6131 NPC476950
Remote Similarity 0.6129 NPC133470
Remote Similarity 0.6129 NPC289776
Remote Similarity 0.6129 NPC79911
Remote Similarity 0.6129 NPC191863
Remote Similarity 0.6124 NPC142599
Remote Similarity 0.6121 NPC151764
Remote Similarity 0.6121 NPC55561
Remote Similarity 0.6121 NPC314002
Remote Similarity 0.6111 NPC290566
Remote Similarity 0.6111 NPC316052
Remote Similarity 0.6111 NPC471596
Remote Similarity 0.6111 NPC314252
Remote Similarity 0.6111 NPC474815
Remote Similarity 0.6111 NPC88363
Remote Similarity 0.6111 NPC145638
Remote Similarity 0.6104 NPC84508
Remote Similarity 0.6103 NPC470343
Remote Similarity 0.6103 NPC472244
Remote Similarity 0.6103 NPC171372
Remote Similarity 0.6098 NPC220765
Remote Similarity 0.6093 NPC184161
Remote Similarity 0.6091 NPC4154
Remote Similarity 0.609 NPC17388
Remote Similarity 0.609 NPC41801
Remote Similarity 0.609 NPC471308
Remote Similarity 0.609 NPC53596
Remote Similarity 0.609 NPC473057
Remote Similarity 0.609 NPC160120
Remote Similarity 0.609 NPC289330
Remote Similarity 0.6087 NPC104216
Remote Similarity 0.6087 NPC225857
Remote Similarity 0.6087 NPC157213
Remote Similarity 0.6087 NPC66177
Remote Similarity 0.6087 NPC19680
Remote Similarity 0.6087 NPC8305
Remote Similarity 0.6087 NPC268763
Remote Similarity 0.6083 NPC313918

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  137.08
ALogP  -0.2425
MLogP  2.12
XLogP  1.432
HDA  1
HBD  1
Rotatable Bonds  4
TPSA  23.47
RO5 Violation  0