Drug Information

Drug ID:  NPD3511
Drug Name:  BGC-20-1259
Molecular Formula:  C19H23N3O5
Canonical SMILES:  CN[C@H](c1ccc(cc1)OC(=O)N(C)C)CCOc1ccc(cc1)N(=O)=O
Standard InCHI:  InChI=1S/C19H23N3O5/c1-20-18(12-13-26-16-10-6-15(7-11-16)22(24)25)14-4-8-17(9-5-14)27-19(23)21(2)3/h4-11,18,20H,12-13H2,1-3H3/t18-/m0/s1
Standard InCHIKey:  BGGBDKDNDXWHQP-SFHVURJKSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3511

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 0.7584 NPC288305
Intermediate Similarity 0.7204 NPC473008
Intermediate Similarity 0.7194 NPC471561
Intermediate Similarity 0.7143 NPC230313
Intermediate Similarity 0.7143 NPC243626
Intermediate Similarity 0.707 NPC328267
Intermediate Similarity 0.701 NPC111492
Remote Similarity 0.6989 NPC473007
Remote Similarity 0.6947 NPC473004
Remote Similarity 0.6939 NPC473460
Remote Similarity 0.6927 NPC475393
Remote Similarity 0.6908 NPC26524
Remote Similarity 0.6872 NPC70172
Remote Similarity 0.6866 NPC471532
Remote Similarity 0.685 NPC475133
Remote Similarity 0.6842 NPC474059
Remote Similarity 0.6839 NPC13397
Remote Similarity 0.6826 NPC253429
Remote Similarity 0.6805 NPC474915
Remote Similarity 0.6805 NPC188163
Remote Similarity 0.6805 NPC213206
Remote Similarity 0.6805 NPC328750
Remote Similarity 0.679 NPC172403
Remote Similarity 0.6784 NPC477161
Remote Similarity 0.6782 NPC60538
Remote Similarity 0.6782 NPC207824
Remote Similarity 0.678 NPC80129
Remote Similarity 0.678 NPC187022
Remote Similarity 0.6769 NPC100863
Remote Similarity 0.6746 NPC212850
Remote Similarity 0.6746 NPC83289
Remote Similarity 0.6746 NPC189724
Remote Similarity 0.6746 NPC314682
Remote Similarity 0.6736 NPC471825
Remote Similarity 0.6732 NPC471531
Remote Similarity 0.6719 NPC22476
Remote Similarity 0.6705 NPC76213
Remote Similarity 0.6705 NPC277669
Remote Similarity 0.6702 NPC469831
Remote Similarity 0.6685 NPC24954
Remote Similarity 0.6685 NPC73280
Remote Similarity 0.6683 NPC477160
Remote Similarity 0.6667 NPC320242
Remote Similarity 0.6667 NPC210437
Remote Similarity 0.6667 NPC16107
Remote Similarity 0.6667 NPC51957
Remote Similarity 0.6667 NPC106295
Remote Similarity 0.6667 NPC283207
Remote Similarity 0.6667 NPC476144
Remote Similarity 0.665 NPC475147
Remote Similarity 0.665 NPC473422
Remote Similarity 0.6649 NPC469830
Remote Similarity 0.6648 NPC247639
Remote Similarity 0.6648 NPC25084
Remote Similarity 0.6646 NPC217277
Remote Similarity 0.6633 NPC314948
Remote Similarity 0.6629 NPC2295
Remote Similarity 0.6629 NPC477564
Remote Similarity 0.6629 NPC63370
Remote Similarity 0.6629 NPC475959
Remote Similarity 0.6629 NPC156311
Remote Similarity 0.6629 NPC7467
Remote Similarity 0.6629 NPC36836
Remote Similarity 0.6628 NPC128019
Remote Similarity 0.6628 NPC136860
Remote Similarity 0.6628 NPC476567
Remote Similarity 0.6614 NPC243454
Remote Similarity 0.6614 NPC475479
Remote Similarity 0.6613 NPC108434
Remote Similarity 0.6613 NPC475215
Remote Similarity 0.6608 NPC204546
Remote Similarity 0.6593 NPC299582
Remote Similarity 0.6593 NPC254700
Remote Similarity 0.6592 NPC93593
Remote Similarity 0.659 NPC247298
Remote Similarity 0.6587 NPC266425
Remote Similarity 0.6587 NPC160692
Remote Similarity 0.6584 NPC298486
Remote Similarity 0.6579 NPC97811
Remote Similarity 0.6579 NPC239584
Remote Similarity 0.6575 NPC7393
Remote Similarity 0.6562 NPC21425
Remote Similarity 0.6556 NPC126519
Remote Similarity 0.6556 NPC170503
Remote Similarity 0.6556 NPC203784
Remote Similarity 0.6554 NPC47672
Remote Similarity 0.6552 NPC185838
Remote Similarity 0.655 NPC314113
Remote Similarity 0.6548 NPC478049
Remote Similarity 0.6541 NPC471604
Remote Similarity 0.6536 NPC10730
Remote Similarity 0.6536 NPC10875
Remote Similarity 0.6536 NPC233926
Remote Similarity 0.6534 NPC24233
Remote Similarity 0.6534 NPC246587
Remote Similarity 0.6534 NPC428
Remote Similarity 0.6534 NPC147390
Remote Similarity 0.6534 NPC135538
Remote Similarity 0.6534 NPC476571
Remote Similarity 0.6533 NPC127178
Remote Similarity 0.6528 NPC477186
Remote Similarity 0.6527 NPC97870
Remote Similarity 0.6527 NPC307123
Remote Similarity 0.6527 NPC247018
Remote Similarity 0.6524 NPC218323
Remote Similarity 0.6522 NPC4138
Remote Similarity 0.6522 NPC121275
Remote Similarity 0.6522 NPC284183
Remote Similarity 0.6519 NPC79328
Remote Similarity 0.6519 NPC93653
Remote Similarity 0.6514 NPC245974
Remote Similarity 0.6512 NPC323204
Remote Similarity 0.6512 NPC470925
Remote Similarity 0.6509 NPC237227
Remote Similarity 0.6509 NPC11147
Remote Similarity 0.6508 NPC70092
Remote Similarity 0.65 NPC41178
Remote Similarity 0.65 NPC216459
Remote Similarity 0.65 NPC263835
Remote Similarity 0.65 NPC138487
Remote Similarity 0.65 NPC321133
Remote Similarity 0.6497 NPC40209
Remote Similarity 0.6494 NPC294249
Remote Similarity 0.6492 NPC469829
Remote Similarity 0.6489 NPC285941
Remote Similarity 0.6486 NPC195392
Remote Similarity 0.6485 NPC87714
Remote Similarity 0.6485 NPC268077
Remote Similarity 0.6484 NPC315498
Remote Similarity 0.6484 NPC230942
Remote Similarity 0.648 NPC206372
Remote Similarity 0.648 NPC203424
Remote Similarity 0.6477 NPC191376
Remote Similarity 0.6477 NPC476151
Remote Similarity 0.6477 NPC179825
Remote Similarity 0.6477 NPC321505
Remote Similarity 0.6473 NPC473006
Remote Similarity 0.6468 NPC473005
Remote Similarity 0.6467 NPC314861
Remote Similarity 0.6464 NPC37205
Remote Similarity 0.6464 NPC146288
Remote Similarity 0.6464 NPC160931
Remote Similarity 0.6463 NPC141739
Remote Similarity 0.6463 NPC136112
Remote Similarity 0.6462 NPC281581
Remote Similarity 0.6458 NPC235194
Remote Similarity 0.6457 NPC130926
Remote Similarity 0.6452 NPC21890
Remote Similarity 0.645 NPC138830
Remote Similarity 0.6446 NPC471306
Remote Similarity 0.6446 NPC471321
Remote Similarity 0.6446 NPC283079
Remote Similarity 0.6445 NPC476069
Remote Similarity 0.6444 NPC315257
Remote Similarity 0.6436 NPC207971
Remote Similarity 0.6436 NPC41216
Remote Similarity 0.6433 NPC318591
Remote Similarity 0.6433 NPC231163
Remote Similarity 0.6432 NPC209377
Remote Similarity 0.6429 NPC470392
Remote Similarity 0.6429 NPC204970
Remote Similarity 0.6429 NPC77777
Remote Similarity 0.6425 NPC119722
Remote Similarity 0.6421 NPC287588
Remote Similarity 0.642 NPC296085
Remote Similarity 0.6416 NPC476462
Remote Similarity 0.6415 NPC323948
Remote Similarity 0.6412 NPC196708
Remote Similarity 0.641 NPC174629
Remote Similarity 0.6409 NPC469817
Remote Similarity 0.6409 NPC5238
Remote Similarity 0.6409 NPC207757
Remote Similarity 0.6409 NPC204828
Remote Similarity 0.6409 NPC184026
Remote Similarity 0.6409 NPC54379
Remote Similarity 0.6409 NPC295691
Remote Similarity 0.6409 NPC2413
Remote Similarity 0.6409 NPC189266
Remote Similarity 0.6409 NPC278799
Remote Similarity 0.6409 NPC110416
Remote Similarity 0.6409 NPC193949
Remote Similarity 0.6409 NPC172765
Remote Similarity 0.6409 NPC127674
Remote Similarity 0.6409 NPC276588
Remote Similarity 0.6409 NPC249797
Remote Similarity 0.6409 NPC39701
Remote Similarity 0.6407 NPC160193
Remote Similarity 0.6406 NPC179704
Remote Similarity 0.6404 NPC477565
Remote Similarity 0.6404 NPC103379
Remote Similarity 0.6404 NPC258222
Remote Similarity 0.6402 NPC127082
Remote Similarity 0.6398 NPC223077
Remote Similarity 0.6398 NPC256012
Remote Similarity 0.6398 NPC56887
Remote Similarity 0.6398 NPC240841
Remote Similarity 0.6398 NPC250846
Remote Similarity 0.6398 NPC193853
Remote Similarity 0.6398 NPC304659
Remote Similarity 0.6398 NPC317272

Drug Structure

External Identifiers

TTD   DIB015612
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  373.16
ALogP  -0.0183
MLogP  2.67
XLogP  4.082
HDA  3
HBD  1
Rotatable Bonds  14
TPSA  93.94
RO5 Violation  0