Drug Information

Drug ID:  NPD1201
Drug Name:  Anthralin
Molecular Formula:  C14H10O3
Canonical SMILES:  Oc1cccc2c1C(=O)c1c(C2)cccc1O
Standard InCHI:  InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2
Standard InCHIKey:  NUZWLKWWNNJHPT-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1201

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 0.9744 NPC173978
High Similarity 0.9661 NPC103540
High Similarity 0.9573 NPC300274
High Similarity 0.9492 NPC375356
High Similarity 0.9421 NPC282923
High Similarity 0.9344 NPC99731
High Similarity 0.9256 NPC96915
High Similarity 0.9256 NPC3224
High Similarity 0.925 NPC142956
High Similarity 0.9194 NPC72669
High Similarity 0.9194 NPC205992
High Similarity 0.9194 NPC474517
High Similarity 0.912 NPC70622
High Similarity 0.9106 NPC48248
High Similarity 0.9048 NPC115458
High Similarity 0.8992 NPC206778
High Similarity 0.8992 NPC285829
High Similarity 0.8976 NPC288089
High Similarity 0.8976 NPC287604
High Similarity 0.8976 NPC161964
High Similarity 0.8976 NPC44437
High Similarity 0.8976 NPC472262
High Similarity 0.8974 NPC477453
High Similarity 0.896 NPC136588
High Similarity 0.896 NPC199253
High Similarity 0.8943 NPC231774
High Similarity 0.8943 NPC160499
High Similarity 0.8934 NPC234890
High Similarity 0.8934 NPC74507
High Similarity 0.8926 NPC307174
High Similarity 0.8906 NPC283088
High Similarity 0.8898 NPC267205
High Similarity 0.8898 NPC314048
High Similarity 0.888 NPC34414
High Similarity 0.888 NPC146647
High Similarity 0.8843 NPC120545
High Similarity 0.8837 NPC141934
High Similarity 0.8837 NPC474813
High Similarity 0.8837 NPC272268
High Similarity 0.8833 NPC473662
High Similarity 0.8833 NPC216297
High Similarity 0.8833 NPC7151
High Similarity 0.8819 NPC58685
High Similarity 0.8814 NPC108288
High Similarity 0.881 NPC475741
High Similarity 0.881 NPC31799
High Similarity 0.878 NPC68756
High Similarity 0.878 NPC152525
High Similarity 0.878 NPC236189
High Similarity 0.877 NPC244351
High Similarity 0.877 NPC91478
High Similarity 0.877 NPC283514
High Similarity 0.8769 NPC53414
High Similarity 0.8769 NPC245923
High Similarity 0.8769 NPC53206
High Similarity 0.875 NPC52407
High Similarity 0.875 NPC225051
High Similarity 0.875 NPC294226
High Similarity 0.874 NPC244699
High Similarity 0.873 NPC92624
High Similarity 0.8729 NPC161304
High Similarity 0.872 NPC471530
High Similarity 0.8702 NPC416
High Similarity 0.8702 NPC61398
High Similarity 0.8702 NPC13715
High Similarity 0.8692 NPC191976
High Similarity 0.8692 NPC254847
High Similarity 0.8689 NPC198336
High Similarity 0.8682 NPC12070
High Similarity 0.8661 NPC55949
High Similarity 0.8661 NPC259942
High Similarity 0.864 NPC1991
High Similarity 0.864 NPC306765
High Similarity 0.8636 NPC242994
High Similarity 0.8636 NPC26924
High Similarity 0.8636 NPC138099
High Similarity 0.8636 NPC1268
High Similarity 0.8629 NPC310540
High Similarity 0.8626 NPC471905
High Similarity 0.8626 NPC147418
High Similarity 0.8626 NPC305060
High Similarity 0.8615 NPC249272
High Similarity 0.8615 NPC161632
High Similarity 0.8615 NPC80035
High Similarity 0.8605 NPC53896
High Similarity 0.8605 NPC114183
High Similarity 0.8595 NPC188814
High Similarity 0.8595 NPC184579
High Similarity 0.8595 NPC233165
High Similarity 0.8595 NPC195262
High Similarity 0.8594 NPC41847
High Similarity 0.8583 NPC278928
High Similarity 0.8583 NPC276238
High Similarity 0.8583 NPC125252
High Similarity 0.8571 NPC315578
High Similarity 0.8571 NPC181560
High Similarity 0.8571 NPC203063
High Similarity 0.8571 NPC169452
High Similarity 0.8571 NPC96421
High Similarity 0.8571 NPC225243
High Similarity 0.855 NPC193358
High Similarity 0.855 NPC155211
High Similarity 0.8538 NPC166480
High Similarity 0.8538 NPC50924
High Similarity 0.8538 NPC270899
High Similarity 0.8538 NPC282780
High Similarity 0.8527 NPC246693
High Similarity 0.8527 NPC110609
High Similarity 0.8527 NPC175738
High Similarity 0.8527 NPC242358
High Similarity 0.8522 NPC141523
High Similarity 0.8516 NPC31539
High Similarity 0.8512 NPC41567
High Similarity 0.8507 NPC124365
High Similarity 0.8507 NPC106519
High Similarity 0.8507 NPC477275
High Similarity 0.8507 NPC91019
High Similarity 0.8504 NPC247250
High Similarity 0.8504 NPC95537
High Similarity 0.8504 NPC96024
High Similarity 0.8504 NPC767
Intermediate Similarity 0.8496 NPC143438
Intermediate Similarity 0.8496 NPC190457
Intermediate Similarity 0.8492 NPC8745
Intermediate Similarity 0.8485 NPC53001
Intermediate Similarity 0.8485 NPC62272
Intermediate Similarity 0.848 NPC199273
Intermediate Similarity 0.848 NPC13238
Intermediate Similarity 0.8473 NPC258502
Intermediate Similarity 0.8468 NPC176208
Intermediate Similarity 0.8455 NPC222876
Intermediate Similarity 0.8455 NPC26433
Intermediate Similarity 0.8455 NPC272454
Intermediate Similarity 0.8455 NPC115188
Intermediate Similarity 0.8455 NPC35856
Intermediate Similarity 0.8455 NPC159760
Intermediate Similarity 0.8455 NPC179092
Intermediate Similarity 0.8455 NPC301987
Intermediate Similarity 0.8455 NPC292665
Intermediate Similarity 0.8455 NPC178395
Intermediate Similarity 0.8455 NPC244994
Intermediate Similarity 0.845 NPC85342
Intermediate Similarity 0.845 NPC93015
Intermediate Similarity 0.8448 NPC224584
Intermediate Similarity 0.8444 NPC73061
Intermediate Similarity 0.8444 NPC257644
Intermediate Similarity 0.8444 NPC239136
Intermediate Similarity 0.8444 NPC193555
Intermediate Similarity 0.8444 NPC19631
Intermediate Similarity 0.8443 NPC232178
Intermediate Similarity 0.8438 NPC109123
Intermediate Similarity 0.8425 NPC176130
Intermediate Similarity 0.8425 NPC69424
Intermediate Similarity 0.8425 NPC78364
Intermediate Similarity 0.8425 NPC84672
Intermediate Similarity 0.8421 NPC87723
Intermediate Similarity 0.8421 NPC4214
Intermediate Similarity 0.8417 NPC240163
Intermediate Similarity 0.8413 NPC10926
Intermediate Similarity 0.8413 NPC477454
Intermediate Similarity 0.8409 NPC118919
Intermediate Similarity 0.8387 NPC242895
Intermediate Similarity 0.8387 NPC156139
Intermediate Similarity 0.8387 NPC196976
Intermediate Similarity 0.8385 NPC309430
Intermediate Similarity 0.8382 NPC296752
Intermediate Similarity 0.8382 NPC451542
Intermediate Similarity 0.8382 NPC238629
Intermediate Similarity 0.8382 NPC295712
Intermediate Similarity 0.8382 NPC313047
Intermediate Similarity 0.8382 NPC474203
Intermediate Similarity 0.8382 NPC471682
Intermediate Similarity 0.837 NPC246638
Intermediate Similarity 0.837 NPC290550
Intermediate Similarity 0.837 NPC204045
Intermediate Similarity 0.837 NPC305845
Intermediate Similarity 0.8361 NPC184527
Intermediate Similarity 0.8359 NPC237225
Intermediate Similarity 0.8359 NPC234175
Intermediate Similarity 0.8359 NPC165257
Intermediate Similarity 0.8346 NPC49647
Intermediate Similarity 0.8346 NPC227741
Intermediate Similarity 0.8346 NPC473691
Intermediate Similarity 0.8346 NPC295202
Intermediate Similarity 0.8346 NPC136342
Intermediate Similarity 0.8346 NPC254492
Intermediate Similarity 0.8333 NPC118288
Intermediate Similarity 0.8333 NPC164014
Intermediate Similarity 0.8333 NPC276111
Intermediate Similarity 0.8321 NPC193703
Intermediate Similarity 0.8321 NPC48130
Intermediate Similarity 0.8321 NPC10764
Intermediate Similarity 0.8321 NPC21599
Intermediate Similarity 0.8321 NPC171968
Intermediate Similarity 0.8321 NPC218866
Intermediate Similarity 0.8321 NPC84568
Intermediate Similarity 0.8321 NPC300684
Intermediate Similarity 0.832 NPC282577
Intermediate Similarity 0.832 NPC133909
Intermediate Similarity 0.832 NPC32032

Drug Structure

External Identifiers

TTD   DIB014812
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  226.06
ALogP  -0.7282
MLogP  2.67
XLogP  2.644
HDA  1
HBD  2
Rotatable Bonds  2
TPSA  57.53
RO5 Violation  0