Drug Information

Drug ID:  NPD6599
Drug Name:  SU-740
Molecular Formula:  C26H30O5
Canonical SMILES:  OC(=O)COc1cc(OCC=C(C)C)ccc1C(=O)/C=C/c1ccc(cc1)C(C)(C)C
Standard InCHI:  InChI=1S/C26H30O5/c1-18(2)14-15-30-21-11-12-22(24(16-21)31-17-25(28)29)23(27)13-8-19-6-9-20(10-7-19)26(3,4)5/h6-14,16H,15,17H2,1-5H3,(H,28,29)/b13-8+
Standard InCHIKey:  ANQKJBMYDIXLBL-MDWZMJQESA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD6599

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 0.9007 NPC295650
High Similarity 0.9 NPC477941
High Similarity 0.8882 NPC471229
High Similarity 0.8867 NPC129650
High Similarity 0.8867 NPC472918
High Similarity 0.8836 NPC124269
High Similarity 0.8831 NPC471116
High Similarity 0.8816 NPC267117
High Similarity 0.88 NPC229190
High Similarity 0.8792 NPC470216
High Similarity 0.8776 NPC136095
High Similarity 0.8767 NPC188879
High Similarity 0.875 NPC277032
High Similarity 0.8742 NPC476182
High Similarity 0.8742 NPC44721
High Similarity 0.8742 NPC211466
High Similarity 0.8742 NPC176869
High Similarity 0.8742 NPC40086
High Similarity 0.8742 NPC122828
High Similarity 0.8742 NPC3779
High Similarity 0.8716 NPC474037
High Similarity 0.871 NPC473241
High Similarity 0.8707 NPC276905
High Similarity 0.8701 NPC210597
High Similarity 0.8701 NPC243171
High Similarity 0.8701 NPC171651
High Similarity 0.8701 NPC35567
High Similarity 0.8699 NPC240593
High Similarity 0.8699 NPC61546
High Similarity 0.8699 NPC254741
High Similarity 0.8699 NPC72452
High Similarity 0.869 NPC125269
High Similarity 0.8684 NPC211811
High Similarity 0.8675 NPC153758
High Similarity 0.8675 NPC130176
High Similarity 0.8675 NPC99454
High Similarity 0.8675 NPC1940
High Similarity 0.8675 NPC148011
High Similarity 0.8671 NPC112418
High Similarity 0.8658 NPC262094
High Similarity 0.8658 NPC136840
High Similarity 0.8658 NPC90582
High Similarity 0.8654 NPC474983
High Similarity 0.8654 NPC470625
High Similarity 0.8649 NPC230902
High Similarity 0.8645 NPC203080
High Similarity 0.8645 NPC100134
High Similarity 0.8645 NPC209760
High Similarity 0.8645 NPC293286
High Similarity 0.8639 NPC103001
High Similarity 0.8639 NPC253616
High Similarity 0.8636 NPC262039
High Similarity 0.8636 NPC319910
High Similarity 0.8636 NPC278476
High Similarity 0.8636 NPC254412
High Similarity 0.8636 NPC262038
High Similarity 0.863 NPC99854
High Similarity 0.8618 NPC10990
High Similarity 0.8618 NPC300988
High Similarity 0.8616 NPC471745
High Similarity 0.8609 NPC279417
High Similarity 0.8609 NPC71210
High Similarity 0.8609 NPC62290
High Similarity 0.8609 NPC469953
High Similarity 0.8609 NPC326506
High Similarity 0.8609 NPC4152
High Similarity 0.8609 NPC142731
High Similarity 0.8609 NPC208176
High Similarity 0.8609 NPC306607
High Similarity 0.8609 NPC49130
High Similarity 0.8608 NPC471744
High Similarity 0.86 NPC202981
High Similarity 0.86 NPC147145
High Similarity 0.8599 NPC43638
High Similarity 0.8591 NPC269652
High Similarity 0.8591 NPC129853
High Similarity 0.8591 NPC171094
High Similarity 0.8591 NPC11056
High Similarity 0.8591 NPC103342
High Similarity 0.8591 NPC146679
High Similarity 0.8591 NPC103904
High Similarity 0.8591 NPC76445
High Similarity 0.8591 NPC184536
High Similarity 0.8591 NPC59951
High Similarity 0.8591 NPC284550
High Similarity 0.8591 NPC6407
High Similarity 0.8591 NPC230285
High Similarity 0.8591 NPC110228
High Similarity 0.8591 NPC188243
High Similarity 0.8591 NPC281207
High Similarity 0.859 NPC471746
High Similarity 0.859 NPC476169
High Similarity 0.8581 NPC99333
High Similarity 0.8581 NPC138288
High Similarity 0.8581 NPC188947
High Similarity 0.8581 NPC280284
High Similarity 0.8581 NPC216035
High Similarity 0.8581 NPC217149
High Similarity 0.8571 NPC116822
High Similarity 0.8571 NPC472421
High Similarity 0.8571 NPC268081
High Similarity 0.8571 NPC105136
High Similarity 0.8562 NPC215711
High Similarity 0.8562 NPC286336
High Similarity 0.8562 NPC73411
High Similarity 0.8553 NPC5820
High Similarity 0.8553 NPC299011
High Similarity 0.8553 NPC259957
High Similarity 0.8553 NPC159579
High Similarity 0.8553 NPC178343
High Similarity 0.8553 NPC129217
High Similarity 0.8553 NPC48093
High Similarity 0.8553 NPC473927
High Similarity 0.8553 NPC85707
High Similarity 0.8553 NPC224530
High Similarity 0.8553 NPC92589
High Similarity 0.8553 NPC306488
High Similarity 0.8553 NPC470458
High Similarity 0.8553 NPC196114
High Similarity 0.8553 NPC216496
High Similarity 0.8552 NPC101294
High Similarity 0.8552 NPC473655
High Similarity 0.8544 NPC104677
High Similarity 0.8544 NPC43761
High Similarity 0.8543 NPC169591
High Similarity 0.8543 NPC175504
High Similarity 0.8543 NPC39329
High Similarity 0.8543 NPC164980
High Similarity 0.8543 NPC257097
High Similarity 0.8543 NPC11700
High Similarity 0.8543 NPC150408
High Similarity 0.8543 NPC221432
High Similarity 0.8543 NPC158874
High Similarity 0.8543 NPC149026
High Similarity 0.8543 NPC91560
High Similarity 0.8543 NPC143896
High Similarity 0.8543 NPC68104
High Similarity 0.8543 NPC310130
High Similarity 0.8543 NPC75049
High Similarity 0.8535 NPC471500
High Similarity 0.8535 NPC127406
High Similarity 0.8533 NPC3188
High Similarity 0.8533 NPC24075
High Similarity 0.8533 NPC110969
High Similarity 0.8533 NPC103362
High Similarity 0.8533 NPC150023
High Similarity 0.8531 NPC211120
High Similarity 0.8526 NPC311579
High Similarity 0.8526 NPC236756
High Similarity 0.8523 NPC20709
High Similarity 0.8523 NPC140890
High Similarity 0.8523 NPC222342
High Similarity 0.8523 NPC225153
High Similarity 0.8523 NPC261234
High Similarity 0.8523 NPC241838
High Similarity 0.8523 NPC274784
High Similarity 0.8523 NPC265871
High Similarity 0.8523 NPC150648
High Similarity 0.8523 NPC143799
High Similarity 0.8523 NPC329203
High Similarity 0.8523 NPC11566
High Similarity 0.8523 NPC310135
High Similarity 0.8523 NPC152042
High Similarity 0.8516 NPC474744
High Similarity 0.8516 NPC189773
High Similarity 0.8516 NPC474170
High Similarity 0.8516 NPC474388
High Similarity 0.8516 NPC471676
High Similarity 0.8516 NPC472420
High Similarity 0.8516 NPC472423
High Similarity 0.8516 NPC474772
High Similarity 0.8516 NPC472535
High Similarity 0.8516 NPC472422
High Similarity 0.8516 NPC263384
High Similarity 0.8516 NPC244577
High Similarity 0.8516 NPC472580
High Similarity 0.8514 NPC250266
High Similarity 0.8514 NPC275055
High Similarity 0.8514 NPC266597
High Similarity 0.8514 NPC290291
High Similarity 0.8514 NPC254841
High Similarity 0.8514 NPC259685
High Similarity 0.8506 NPC233267
High Similarity 0.8506 NPC472628
High Similarity 0.8506 NPC474052
High Similarity 0.8506 NPC291049
High Similarity 0.8506 NPC470461
High Similarity 0.8506 NPC471114
High Similarity 0.8506 NPC164299
High Similarity 0.85 NPC27942
Intermediate Similarity 0.8497 NPC471285
Intermediate Similarity 0.8497 NPC299923
Intermediate Similarity 0.8497 NPC117463
Intermediate Similarity 0.8497 NPC470511
Intermediate Similarity 0.8497 NPC472627
Intermediate Similarity 0.8497 NPC210320
Intermediate Similarity 0.8493 NPC28753
Intermediate Similarity 0.8493 NPC188646
Intermediate Similarity 0.8493 NPC56031
Intermediate Similarity 0.8493 NPC204960

Drug Structure

External Identifiers

TTD   DIB001310
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  422.21
ALogP  2.4715
MLogP  3.77
XLogP  7.98
HDA  3
HBD  1
Rotatable Bonds  16
TPSA  72.83
RO5 Violation  1