Drug Information

Drug ID:  NPD1257
Drug Name:  Fadrozole
Molecular Formula:  C14H13N3
Canonical SMILES:  N#Cc1ccc(cc1)C1CCCc2n1cnc2
Standard InCHI:  InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
Standard InCHIKey:  CLPFFLWZZBQMAO-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1257

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 0.811 NPC317054
Intermediate Similarity 0.75 NPC282531
Intermediate Similarity 0.7455 NPC470204
Intermediate Similarity 0.7419 NPC150259
Intermediate Similarity 0.741 NPC470203
Intermediate Similarity 0.7329 NPC114209
Intermediate Similarity 0.7289 NPC300238
Intermediate Similarity 0.7267 NPC63545
Intermediate Similarity 0.7246 NPC122141
Intermediate Similarity 0.723 NPC48564
Intermediate Similarity 0.723 NPC182570
Intermediate Similarity 0.723 NPC265605
Intermediate Similarity 0.7222 NPC201380
Intermediate Similarity 0.7222 NPC470111
Intermediate Similarity 0.7222 NPC179787
Intermediate Similarity 0.7222 NPC469811
Intermediate Similarity 0.7202 NPC225018
Intermediate Similarity 0.7178 NPC321911
Intermediate Similarity 0.7134 NPC40070
Intermediate Similarity 0.7108 NPC476219
Intermediate Similarity 0.7108 NPC476297
Intermediate Similarity 0.7091 NPC469975
Intermediate Similarity 0.7083 NPC293487
Intermediate Similarity 0.7083 NPC477591
Intermediate Similarity 0.7063 NPC230002
Intermediate Similarity 0.7063 NPC279081
Intermediate Similarity 0.7048 NPC325903
Intermediate Similarity 0.7027 NPC91958
Intermediate Similarity 0.702 NPC46358
Remote Similarity 0.6994 NPC204141
Remote Similarity 0.6974 NPC52764
Remote Similarity 0.6974 NPC27740
Remote Similarity 0.6968 NPC469308
Remote Similarity 0.6959 NPC471402
Remote Similarity 0.6959 NPC297486
Remote Similarity 0.6959 NPC478182
Remote Similarity 0.6959 NPC478184
Remote Similarity 0.6959 NPC240136
Remote Similarity 0.6951 NPC143872
Remote Similarity 0.6923 NPC236711
Remote Similarity 0.6923 NPC472289
Remote Similarity 0.6901 NPC478185
Remote Similarity 0.6879 NPC478183
Remote Similarity 0.6879 NPC256893
Remote Similarity 0.6879 NPC101165
Remote Similarity 0.6879 NPC56233
Remote Similarity 0.6875 NPC314102
Remote Similarity 0.6875 NPC251722
Remote Similarity 0.6872 NPC307191
Remote Similarity 0.6871 NPC20144
Remote Similarity 0.6863 NPC476322
Remote Similarity 0.6849 NPC235843
Remote Similarity 0.6818 NPC146373
Remote Similarity 0.6818 NPC245244
Remote Similarity 0.6818 NPC166424
Remote Similarity 0.6813 NPC96102
Remote Similarity 0.6813 NPC216159
Remote Similarity 0.68 NPC143603
Remote Similarity 0.68 NPC32534
Remote Similarity 0.68 NPC91895
Remote Similarity 0.6796 NPC108011
Remote Similarity 0.679 NPC32002
Remote Similarity 0.679 NPC110126
Remote Similarity 0.679 NPC315348
Remote Similarity 0.679 NPC316811
Remote Similarity 0.679 NPC73767
Remote Similarity 0.677 NPC105127
Remote Similarity 0.677 NPC84911
Remote Similarity 0.6763 NPC317105
Remote Similarity 0.6753 NPC116555
Remote Similarity 0.675 NPC198988
Remote Similarity 0.674 NPC471609
Remote Similarity 0.6724 NPC274229
Remote Similarity 0.6709 NPC282398
Remote Similarity 0.6709 NPC69914
Remote Similarity 0.6708 NPC261195
Remote Similarity 0.6708 NPC29886
Remote Similarity 0.6708 NPC325252
Remote Similarity 0.6706 NPC120070
Remote Similarity 0.6687 NPC88097
Remote Similarity 0.6686 NPC470233
Remote Similarity 0.6686 NPC56765
Remote Similarity 0.6686 NPC49217
Remote Similarity 0.6667 NPC82295
Remote Similarity 0.6667 NPC476566
Remote Similarity 0.6667 NPC265710
Remote Similarity 0.6667 NPC82331
Remote Similarity 0.665 NPC54981
Remote Similarity 0.6648 NPC280852
Remote Similarity 0.6646 NPC469767
Remote Similarity 0.6646 NPC115611
Remote Similarity 0.6646 NPC476131
Remote Similarity 0.6646 NPC469784
Remote Similarity 0.6646 NPC469783
Remote Similarity 0.6646 NPC469768
Remote Similarity 0.6646 NPC469779
Remote Similarity 0.6646 NPC469761
Remote Similarity 0.6646 NPC469780
Remote Similarity 0.663 NPC16659
Remote Similarity 0.6629 NPC2165
Remote Similarity 0.6629 NPC195507
Remote Similarity 0.6628 NPC129721
Remote Similarity 0.6626 NPC169433
Remote Similarity 0.6623 NPC329825
Remote Similarity 0.6616 NPC471603
Remote Similarity 0.6611 NPC240088
Remote Similarity 0.6611 NPC473380
Remote Similarity 0.661 NPC97343
Remote Similarity 0.6606 NPC469766
Remote Similarity 0.6599 NPC27802
Remote Similarity 0.6587 NPC86288
Remote Similarity 0.6585 NPC104483
Remote Similarity 0.6581 NPC290094
Remote Similarity 0.6575 NPC12649
Remote Similarity 0.6571 NPC90723
Remote Similarity 0.657 NPC51054
Remote Similarity 0.6566 NPC242923
Remote Similarity 0.6566 NPC190296
Remote Similarity 0.6564 NPC125746
Remote Similarity 0.6564 NPC65408
Remote Similarity 0.6562 NPC471322
Remote Similarity 0.6556 NPC474958
Remote Similarity 0.6552 NPC44773
Remote Similarity 0.6552 NPC215584
Remote Similarity 0.6548 NPC288838
Remote Similarity 0.6538 NPC24864
Remote Similarity 0.6514 NPC253687
Remote Similarity 0.65 NPC471579
Remote Similarity 0.6497 NPC71238
Remote Similarity 0.6494 NPC41257
Remote Similarity 0.6494 NPC206819
Remote Similarity 0.6494 NPC318065
Remote Similarity 0.649 NPC84268
Remote Similarity 0.6488 NPC285731
Remote Similarity 0.6488 NPC314372
Remote Similarity 0.6488 NPC159856
Remote Similarity 0.6486 NPC476341
Remote Similarity 0.6477 NPC247987
Remote Similarity 0.6467 NPC42483
Remote Similarity 0.646 NPC324611
Remote Similarity 0.6456 NPC169625
Remote Similarity 0.6456 NPC202957
Remote Similarity 0.645 NPC478186
Remote Similarity 0.6447 NPC148140
Remote Similarity 0.6446 NPC284635
Remote Similarity 0.6441 NPC280864
Remote Similarity 0.6441 NPC17751
Remote Similarity 0.6437 NPC286427
Remote Similarity 0.6433 NPC53947
Remote Similarity 0.6425 NPC164664
Remote Similarity 0.6412 NPC471957
Remote Similarity 0.6409 NPC297034
Remote Similarity 0.6407 NPC63157
Remote Similarity 0.6407 NPC476454
Remote Similarity 0.6407 NPC473868
Remote Similarity 0.6405 NPC81561
Remote Similarity 0.6402 NPC218268
Remote Similarity 0.6395 NPC231655
Remote Similarity 0.6395 NPC76540
Remote Similarity 0.6391 NPC470440
Remote Similarity 0.6375 NPC89490
Remote Similarity 0.6364 NPC162689
Remote Similarity 0.6364 NPC54102
Remote Similarity 0.6359 NPC73994
Remote Similarity 0.6359 NPC54537
Remote Similarity 0.6358 NPC200214
Remote Similarity 0.6358 NPC138842
Remote Similarity 0.6347 NPC2949
Remote Similarity 0.6347 NPC59084
Remote Similarity 0.6341 NPC308906
Remote Similarity 0.6337 NPC24678
Remote Similarity 0.6337 NPC105818
Remote Similarity 0.6337 NPC282247
Remote Similarity 0.6335 NPC329896
Remote Similarity 0.6335 NPC475105
Remote Similarity 0.6335 NPC475090
Remote Similarity 0.6324 NPC267811
Remote Similarity 0.6324 NPC191415
Remote Similarity 0.6322 NPC34844
Remote Similarity 0.6301 NPC470823
Remote Similarity 0.6301 NPC216713
Remote Similarity 0.6296 NPC22079
Remote Similarity 0.629 NPC48938
Remote Similarity 0.629 NPC102755
Remote Similarity 0.6286 NPC476464
Remote Similarity 0.6282 NPC215519
Remote Similarity 0.6271 NPC255229
Remote Similarity 0.6271 NPC81229
Remote Similarity 0.6271 NPC279918
Remote Similarity 0.6264 NPC469763
Remote Similarity 0.6264 NPC469765
Remote Similarity 0.6264 NPC259644
Remote Similarity 0.6264 NPC73952
Remote Similarity 0.6264 NPC469786
Remote Similarity 0.6264 NPC141926
Remote Similarity 0.6264 NPC469760
Remote Similarity 0.6264 NPC25008
Remote Similarity 0.6257 NPC284678
Remote Similarity 0.625 NPC216643
Remote Similarity 0.625 NPC75999

Drug Structure

External Identifiers

TTD   DNC003938
DrugBank  
ChEMBL  
IUPHAR/BPS   8311
PharmaGKB  
KEGG Drug  
PubChem CID   59693
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  223.11
ALogP  -0.3229
MLogP  2.67
XLogP  2.728
HDA  3
HBD  0
Rotatable Bonds  1
TPSA  41.61
RO5 Violation  0