Drug Information

Drug ID:  NPD2935
Drug Name:  SDZ-LAP-977
Molecular Formula:  C18H20O5
Canonical SMILES:  COc1ccc(c(c1)CCc1ccc(c(c1)C(=O)OC)O)OC
Standard InCHI:  InChI=1S/C18H20O5/c1-21-14-7-9-17(22-2)13(11-14)6-4-12-5-8-16(19)15(10-12)18(20)23-3/h5,7-11,19H,4,6H2,1-3H3
Standard InCHIKey:  GZOFTOHENYHNMS-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2935

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 0.9084 NPC71525
High Similarity 0.8951 NPC55327
High Similarity 0.8904 NPC477691
High Similarity 0.8836 NPC477690
High Similarity 0.8811 NPC211565
High Similarity 0.8811 NPC163846
High Similarity 0.8811 NPC60389
High Similarity 0.8811 NPC225173
High Similarity 0.8794 NPC250755
High Similarity 0.8788 NPC4164
High Similarity 0.8768 NPC131039
High Similarity 0.8759 NPC266499
High Similarity 0.875 NPC125801
High Similarity 0.8714 NPC21350
High Similarity 0.8705 NPC477243
High Similarity 0.8705 NPC472364
High Similarity 0.8705 NPC25287
High Similarity 0.8705 NPC249606
High Similarity 0.8705 NPC274109
High Similarity 0.8705 NPC473391
High Similarity 0.8705 NPC12165
High Similarity 0.8705 NPC477242
High Similarity 0.8705 NPC98115
High Similarity 0.8705 NPC186838
High Similarity 0.8705 NPC477244
High Similarity 0.8705 NPC1486
High Similarity 0.8705 NPC66349
High Similarity 0.8705 NPC168105
High Similarity 0.8705 NPC41461
High Similarity 0.8705 NPC150399
High Similarity 0.8696 NPC22222
High Similarity 0.8696 NPC281513
High Similarity 0.869 NPC186397
High Similarity 0.869 NPC37135
High Similarity 0.8681 NPC25844
High Similarity 0.8662 NPC470087
High Similarity 0.8662 NPC469404
High Similarity 0.8662 NPC470089
High Similarity 0.8662 NPC321980
High Similarity 0.8652 NPC477956
High Similarity 0.8652 NPC109232
High Similarity 0.8643 NPC472419
High Similarity 0.8643 NPC317119
High Similarity 0.8643 NPC153979
High Similarity 0.8633 NPC13575
High Similarity 0.8633 NPC156092
High Similarity 0.863 NPC223988
High Similarity 0.8613 NPC118253
High Similarity 0.8613 NPC186097
High Similarity 0.8613 NPC475009
High Similarity 0.8613 NPC474340
High Similarity 0.8613 NPC470160
High Similarity 0.8613 NPC475008
High Similarity 0.8611 NPC478019
High Similarity 0.8601 NPC148545
High Similarity 0.8592 NPC213659
High Similarity 0.8592 NPC48624
High Similarity 0.8592 NPC259166
High Similarity 0.8592 NPC80962
High Similarity 0.8592 NPC326109
High Similarity 0.8592 NPC204985
High Similarity 0.8592 NPC172250
High Similarity 0.8592 NPC144118
High Similarity 0.8592 NPC11056
High Similarity 0.8592 NPC124365
High Similarity 0.8592 NPC219917
High Similarity 0.8592 NPC215311
High Similarity 0.8581 NPC175978
High Similarity 0.8581 NPC199773
High Similarity 0.8571 NPC37348
High Similarity 0.8571 NPC213603
High Similarity 0.8562 NPC172329
High Similarity 0.8562 NPC2569
High Similarity 0.8561 NPC286336
High Similarity 0.8561 NPC103842
High Similarity 0.8552 NPC300540
High Similarity 0.8552 NPC308799
High Similarity 0.8543 NPC477692
High Similarity 0.8542 NPC51887
High Similarity 0.8542 NPC89664
High Similarity 0.8542 NPC117836
High Similarity 0.8542 NPC476178
High Similarity 0.8542 NPC245482
High Similarity 0.8542 NPC274085
High Similarity 0.8542 NPC301751
High Similarity 0.8542 NPC475705
High Similarity 0.854 NPC141549
High Similarity 0.8531 NPC268204
High Similarity 0.8531 NPC49108
High Similarity 0.8531 NPC52789
High Similarity 0.8531 NPC26051
High Similarity 0.8531 NPC55832
High Similarity 0.8529 NPC473019
High Similarity 0.8521 NPC295384
High Similarity 0.8521 NPC283429
High Similarity 0.8521 NPC472366
High Similarity 0.8521 NPC168471
High Similarity 0.8521 NPC470211
High Similarity 0.8519 NPC293387
High Similarity 0.8503 NPC233267
High Similarity 0.8503 NPC291049
Intermediate Similarity 0.8493 NPC119660
Intermediate Similarity 0.8493 NPC113428
Intermediate Similarity 0.8493 NPC61284
Intermediate Similarity 0.8493 NPC93034
Intermediate Similarity 0.8489 NPC82225
Intermediate Similarity 0.8489 NPC242294
Intermediate Similarity 0.8489 NPC263670
Intermediate Similarity 0.8489 NPC312318
Intermediate Similarity 0.8489 NPC144051
Intermediate Similarity 0.8489 NPC472365
Intermediate Similarity 0.8489 NPC175098
Intermediate Similarity 0.8489 NPC28753
Intermediate Similarity 0.8489 NPC188646
Intermediate Similarity 0.8489 NPC27643
Intermediate Similarity 0.8489 NPC204960
Intermediate Similarity 0.8489 NPC337373
Intermediate Similarity 0.8489 NPC56031
Intermediate Similarity 0.8489 NPC139813
Intermediate Similarity 0.8489 NPC294593
Intermediate Similarity 0.8489 NPC18877
Intermediate Similarity 0.8489 NPC20560
Intermediate Similarity 0.8489 NPC192304
Intermediate Similarity 0.8489 NPC159623
Intermediate Similarity 0.8483 NPC134621
Intermediate Similarity 0.8483 NPC328623
Intermediate Similarity 0.8483 NPC469953
Intermediate Similarity 0.8478 NPC262359
Intermediate Similarity 0.8477 NPC67197
Intermediate Similarity 0.8472 NPC66593
Intermediate Similarity 0.8467 NPC278787
Intermediate Similarity 0.8467 NPC7569
Intermediate Similarity 0.8467 NPC31539
Intermediate Similarity 0.8467 NPC245395
Intermediate Similarity 0.8462 NPC253822
Intermediate Similarity 0.8462 NPC101366
Intermediate Similarity 0.8462 NPC145673
Intermediate Similarity 0.8456 NPC273483
Intermediate Similarity 0.8451 NPC471620
Intermediate Similarity 0.8451 NPC243528
Intermediate Similarity 0.8451 NPC251681
Intermediate Similarity 0.8446 NPC120105
Intermediate Similarity 0.8446 NPC101957
Intermediate Similarity 0.8446 NPC227122
Intermediate Similarity 0.8446 NPC294646
Intermediate Similarity 0.8442 NPC477689
Intermediate Similarity 0.844 NPC24394
Intermediate Similarity 0.8435 NPC105415
Intermediate Similarity 0.8433 NPC4012
Intermediate Similarity 0.8433 NPC56332
Intermediate Similarity 0.8433 NPC470162
Intermediate Similarity 0.8433 NPC470163
Intermediate Similarity 0.8433 NPC89630
Intermediate Similarity 0.8425 NPC24136
Intermediate Similarity 0.8425 NPC187282
Intermediate Similarity 0.8425 NPC154217
Intermediate Similarity 0.8425 NPC290133
Intermediate Similarity 0.8425 NPC470322
Intermediate Similarity 0.8425 NPC237208
Intermediate Similarity 0.8425 NPC316769
Intermediate Similarity 0.8421 NPC49441
Intermediate Similarity 0.8421 NPC283514
Intermediate Similarity 0.8421 NPC83763
Intermediate Similarity 0.8421 NPC168616
Intermediate Similarity 0.8417 NPC205468
Intermediate Similarity 0.8417 NPC87231
Intermediate Similarity 0.8417 NPC129132
Intermediate Similarity 0.8417 NPC257756
Intermediate Similarity 0.8417 NPC287533
Intermediate Similarity 0.8417 NPC212631
Intermediate Similarity 0.8417 NPC472591
Intermediate Similarity 0.8414 NPC166138
Intermediate Similarity 0.8414 NPC18585
Intermediate Similarity 0.8414 NPC66404
Intermediate Similarity 0.8414 NPC106985
Intermediate Similarity 0.8414 NPC95123
Intermediate Similarity 0.8411 NPC472453
Intermediate Similarity 0.8406 NPC85342
Intermediate Similarity 0.8403 NPC110969
Intermediate Similarity 0.84 NPC298802
Intermediate Similarity 0.84 NPC135522
Intermediate Similarity 0.84 NPC475895
Intermediate Similarity 0.8392 NPC183642
Intermediate Similarity 0.8392 NPC165172
Intermediate Similarity 0.8392 NPC310370
Intermediate Similarity 0.8389 NPC133856
Intermediate Similarity 0.8389 NPC170169
Intermediate Similarity 0.8389 NPC262623
Intermediate Similarity 0.8382 NPC142087
Intermediate Similarity 0.8382 NPC121104
Intermediate Similarity 0.8382 NPC95034
Intermediate Similarity 0.838 NPC212767
Intermediate Similarity 0.838 NPC209560
Intermediate Similarity 0.838 NPC332594
Intermediate Similarity 0.838 NPC303644
Intermediate Similarity 0.838 NPC23870
Intermediate Similarity 0.838 NPC116632
Intermediate Similarity 0.838 NPC181124
Intermediate Similarity 0.838 NPC294409
Intermediate Similarity 0.838 NPC162680

Drug Structure

External Identifiers

TTD   DIB008340
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  316.13
ALogP  -0.4279
MLogP  2.89
XLogP  4.588
HDA  2
HBD  1
Rotatable Bonds  11
TPSA  64.99
RO5 Violation  0