Drug Information

Drug ID:  NPD2332
Drug Name:  DPC-A78277
Molecular Formula:  C17H14F4N2O2
Canonical SMILES:  Fc1ccc2c(c1)[C@](OCC1CC1)(c1c(N2)n(=O)ccc1)C(F)(F)F
Standard InCHI:  InChI=1S/C17H14F4N2O2/c18-11-5-6-14-13(8-11)16(17(19,20)21,25-9-10-3-4-10)12-2-1-7-23(24)15(12)22-14/h1-2,5-8,10,22H,3-4,9H2/t16-/m1/s1
Standard InCHIKey:  SQMUNJMATGMRRH-MRXNPFEDSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2332

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 0.7071 NPC470474
Intermediate Similarity 0.7 NPC284678
Remote Similarity 0.6995 NPC34300
Remote Similarity 0.6954 NPC203754
Remote Similarity 0.6954 NPC150048
Remote Similarity 0.6898 NPC471603
Remote Similarity 0.6865 NPC471323
Remote Similarity 0.6856 NPC471178
Remote Similarity 0.6816 NPC130570
Remote Similarity 0.6804 NPC102423
Remote Similarity 0.6788 NPC131718
Remote Similarity 0.678 NPC472289
Remote Similarity 0.6749 NPC284559
Remote Similarity 0.6744 NPC243850
Remote Similarity 0.6729 NPC285558
Remote Similarity 0.6728 NPC167860
Remote Similarity 0.6728 NPC123976
Remote Similarity 0.6718 NPC311276
Remote Similarity 0.6716 NPC188387
Remote Similarity 0.6716 NPC163421
Remote Similarity 0.6713 NPC476465
Remote Similarity 0.67 NPC48938
Remote Similarity 0.6699 NPC296527
Remote Similarity 0.6698 NPC323345
Remote Similarity 0.6698 NPC470164
Remote Similarity 0.6667 NPC177404
Remote Similarity 0.6667 NPC76748
Remote Similarity 0.6667 NPC59779
Remote Similarity 0.6667 NPC124542
Remote Similarity 0.6667 NPC232727
Remote Similarity 0.6667 NPC471177
Remote Similarity 0.6667 NPC211997
Remote Similarity 0.6667 NPC95783
Remote Similarity 0.6651 NPC307963
Remote Similarity 0.6649 NPC230869
Remote Similarity 0.6635 NPC92111
Remote Similarity 0.6633 NPC89562
Remote Similarity 0.6633 NPC97367
Remote Similarity 0.662 NPC176538
Remote Similarity 0.6618 NPC472110
Remote Similarity 0.6618 NPC472109
Remote Similarity 0.6617 NPC134586
Remote Similarity 0.6616 NPC317430
Remote Similarity 0.6611 NPC56271
Remote Similarity 0.66 NPC313791
Remote Similarity 0.6599 NPC41333
Remote Similarity 0.6598 NPC469762
Remote Similarity 0.6588 NPC13880
Remote Similarity 0.6588 NPC251090
Remote Similarity 0.6588 NPC242209
Remote Similarity 0.6583 NPC164664
Remote Similarity 0.6574 NPC329708
Remote Similarity 0.6574 NPC165349
Remote Similarity 0.6574 NPC274291
Remote Similarity 0.6574 NPC264166
Remote Similarity 0.6574 NPC47059
Remote Similarity 0.6574 NPC118832
Remote Similarity 0.6571 NPC198673
Remote Similarity 0.6567 NPC317054
Remote Similarity 0.6566 NPC49954
Remote Similarity 0.6566 NPC54988
Remote Similarity 0.6566 NPC474561
Remote Similarity 0.6562 NPC470233
Remote Similarity 0.6562 NPC213530
Remote Similarity 0.6562 NPC193267
Remote Similarity 0.6557 NPC267928
Remote Similarity 0.6553 NPC473189
Remote Similarity 0.6546 NPC469785
Remote Similarity 0.6544 NPC475288
Remote Similarity 0.6542 NPC19872
Remote Similarity 0.6542 NPC315957
Remote Similarity 0.6538 NPC101165
Remote Similarity 0.6537 NPC139291
Remote Similarity 0.6537 NPC472108
Remote Similarity 0.6533 NPC63751
Remote Similarity 0.6531 NPC279918
Remote Similarity 0.6526 NPC168911
Remote Similarity 0.6509 NPC245916
Remote Similarity 0.6502 NPC274982
Remote Similarity 0.65 NPC476518
Remote Similarity 0.6498 NPC289086
Remote Similarity 0.6498 NPC327592
Remote Similarity 0.6497 NPC282231
Remote Similarity 0.6493 NPC289786
Remote Similarity 0.649 NPC46580
Remote Similarity 0.6484 NPC475910
Remote Similarity 0.6482 NPC49217
Remote Similarity 0.6482 NPC160105
Remote Similarity 0.6476 NPC138370
Remote Similarity 0.6473 NPC282103
Remote Similarity 0.6473 NPC62510
Remote Similarity 0.6473 NPC314002
Remote Similarity 0.6471 NPC208284
Remote Similarity 0.6468 NPC317373
Remote Similarity 0.6468 NPC121658
Remote Similarity 0.6468 NPC14651
Remote Similarity 0.6465 NPC329793
Remote Similarity 0.6465 NPC40779
Remote Similarity 0.6465 NPC474217
Remote Similarity 0.6457 NPC250835
Remote Similarity 0.6456 NPC469358
Remote Similarity 0.6456 NPC220765
Remote Similarity 0.6453 NPC472122
Remote Similarity 0.6453 NPC56618
Remote Similarity 0.6453 NPC24594
Remote Similarity 0.6449 NPC239954
Remote Similarity 0.6448 NPC256893
Remote Similarity 0.6445 NPC99666
Remote Similarity 0.6445 NPC195268
Remote Similarity 0.6445 NPC133140
Remote Similarity 0.6445 NPC324149
Remote Similarity 0.6445 NPC55493
Remote Similarity 0.6443 NPC469786
Remote Similarity 0.6443 NPC469765
Remote Similarity 0.6443 NPC469760
Remote Similarity 0.6443 NPC73952
Remote Similarity 0.6443 NPC25008
Remote Similarity 0.6443 NPC259644
Remote Similarity 0.6443 NPC469763
Remote Similarity 0.6441 NPC118940
Remote Similarity 0.6439 NPC314491
Remote Similarity 0.6436 NPC314603
Remote Similarity 0.6436 NPC208060
Remote Similarity 0.6436 NPC313730
Remote Similarity 0.6436 NPC472123
Remote Similarity 0.6432 NPC310118
Remote Similarity 0.6429 NPC472027
Remote Similarity 0.6429 NPC26850
Remote Similarity 0.6429 NPC329896
Remote Similarity 0.6429 NPC475105
Remote Similarity 0.6429 NPC129721
Remote Similarity 0.6429 NPC475090
Remote Similarity 0.6429 NPC477110
Remote Similarity 0.6429 NPC251936
Remote Similarity 0.6429 NPC236711
Remote Similarity 0.6425 NPC123839
Remote Similarity 0.6425 NPC5145
Remote Similarity 0.6425 NPC204717
Remote Similarity 0.6422 NPC151939
Remote Similarity 0.6422 NPC16452
Remote Similarity 0.6422 NPC470500
Remote Similarity 0.6422 NPC476581
Remote Similarity 0.6422 NPC326575
Remote Similarity 0.6422 NPC36229
Remote Similarity 0.6419 NPC287437
Remote Similarity 0.6419 NPC123395
Remote Similarity 0.6419 NPC4071
Remote Similarity 0.6419 NPC476582
Remote Similarity 0.6419 NPC476578
Remote Similarity 0.6419 NPC125597
Remote Similarity 0.6415 NPC103230
Remote Similarity 0.6414 NPC470203
Remote Similarity 0.6414 NPC225018
Remote Similarity 0.6414 NPC71079
Remote Similarity 0.6413 NPC234078
Remote Similarity 0.6413 NPC221100
Remote Similarity 0.641 NPC212376
Remote Similarity 0.641 NPC80597
Remote Similarity 0.641 NPC70922
Remote Similarity 0.641 NPC211572
Remote Similarity 0.641 NPC75540
Remote Similarity 0.6409 NPC306397
Remote Similarity 0.6408 NPC144114
Remote Similarity 0.6408 NPC477891
Remote Similarity 0.6408 NPC71037
Remote Similarity 0.6406 NPC473761
Remote Similarity 0.64 NPC98187
Remote Similarity 0.6394 NPC280290
Remote Similarity 0.6393 NPC472111
Remote Similarity 0.6391 NPC103687
Remote Similarity 0.6391 NPC132631
Remote Similarity 0.639 NPC141377
Remote Similarity 0.6389 NPC146373
Remote Similarity 0.6389 NPC234197
Remote Similarity 0.6389 NPC249040
Remote Similarity 0.6389 NPC166424
Remote Similarity 0.6389 NPC245244
Remote Similarity 0.6389 NPC329747
Remote Similarity 0.6387 NPC159856
Remote Similarity 0.6386 NPC476688
Remote Similarity 0.6386 NPC105758
Remote Similarity 0.6386 NPC249614
Remote Similarity 0.6386 NPC476686
Remote Similarity 0.6386 NPC158129
Remote Similarity 0.6385 NPC474121
Remote Similarity 0.6382 NPC469541
Remote Similarity 0.6382 NPC473057
Remote Similarity 0.6382 NPC476118
Remote Similarity 0.6381 NPC111602
Remote Similarity 0.6381 NPC102338
Remote Similarity 0.6381 NPC196251
Remote Similarity 0.6381 NPC63199
Remote Similarity 0.6381 NPC32771
Remote Similarity 0.6379 NPC116622
Remote Similarity 0.6376 NPC476138
Remote Similarity 0.6376 NPC245816
Remote Similarity 0.6374 NPC89490
Remote Similarity 0.6372 NPC67288
Remote Similarity 0.6368 NPC477166
Remote Similarity 0.6368 NPC278874

Drug Structure

External Identifiers

TTD   DIB006080
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  354.10
ALogP  0.9118
MLogP  2.45
XLogP  4.281
HDA  2
HBD  1
Rotatable Bonds  8
TPSA  46.72
RO5 Violation  0