Drug Information

Drug ID:  NPD174
Drug Name:  VSF-173
Molecular Formula:  C10H11N3
Canonical SMILES:  Cc1nccn1Cc1ccccn1
Standard InCHI:  InChI=1S/C10H11N3/c1-9-11-6-7-13(9)8-10-4-2-3-5-12-10/h2-7H,8H2,1H3
Standard InCHIKey:  CTUICISGLKIJLG-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD174

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 0.8397 NPC317054
Intermediate Similarity 0.7986 NPC216159
Intermediate Similarity 0.7704 NPC84268
Intermediate Similarity 0.7634 NPC231655
Intermediate Similarity 0.7564 NPC120070
Intermediate Similarity 0.7376 NPC265605
Intermediate Similarity 0.7376 NPC182570
Intermediate Similarity 0.7376 NPC48564
Intermediate Similarity 0.7375 NPC470204
Intermediate Similarity 0.7355 NPC114209
Intermediate Similarity 0.7329 NPC470203
Intermediate Similarity 0.7329 NPC253687
Intermediate Similarity 0.732 NPC42483
Intermediate Similarity 0.7312 NPC300238
Intermediate Similarity 0.7244 NPC470111
Intermediate Similarity 0.7244 NPC201380
Intermediate Similarity 0.7244 NPC179787
Intermediate Similarity 0.7197 NPC321911
Intermediate Similarity 0.7197 NPC282531
Intermediate Similarity 0.7179 NPC63545
Intermediate Similarity 0.7176 NPC83987
Intermediate Similarity 0.7167 NPC469308
Intermediate Similarity 0.716 NPC122141
Intermediate Similarity 0.7134 NPC469811
Intermediate Similarity 0.7125 NPC476219
Intermediate Similarity 0.7125 NPC476297
Intermediate Similarity 0.7117 NPC225018
Intermediate Similarity 0.7099 NPC477591
Intermediate Similarity 0.708 NPC27802
Intermediate Similarity 0.7044 NPC40070
Intermediate Similarity 0.7029 NPC472289
Intermediate Similarity 0.7007 NPC75999
Intermediate Similarity 0.7 NPC143156
Remote Similarity 0.6994 NPC293487
Remote Similarity 0.6993 NPC150259
Remote Similarity 0.6986 NPC27740
Remote Similarity 0.6986 NPC476322
Remote Similarity 0.6985 NPC76540
Remote Similarity 0.6972 NPC240136
Remote Similarity 0.6972 NPC297486
Remote Similarity 0.6972 NPC471402
Remote Similarity 0.697 NPC478182
Remote Similarity 0.6957 NPC325903
Remote Similarity 0.6933 NPC236711
Remote Similarity 0.6923 NPC197068
Remote Similarity 0.6918 NPC46358
Remote Similarity 0.6894 NPC213774
Remote Similarity 0.6887 NPC471322
Remote Similarity 0.6867 NPC478184
Remote Similarity 0.6807 NPC478185
Remote Similarity 0.6806 NPC91958
Remote Similarity 0.6805 NPC91895
Remote Similarity 0.6795 NPC73767
Remote Similarity 0.6795 NPC110126
Remote Similarity 0.679 NPC469975
Remote Similarity 0.679 NPC472260
Remote Similarity 0.6786 NPC56233
Remote Similarity 0.6786 NPC478183
Remote Similarity 0.6782 NPC307191
Remote Similarity 0.6776 NPC101165
Remote Similarity 0.6774 NPC314102
Remote Similarity 0.6774 NPC251722
Remote Similarity 0.6774 NPC84911
Remote Similarity 0.6755 NPC476131
Remote Similarity 0.675 NPC143872
Remote Similarity 0.6743 NPC471609
Remote Similarity 0.6738 NPC235843
Remote Similarity 0.6711 NPC69914
Remote Similarity 0.671 NPC261195
Remote Similarity 0.671 NPC96102
Remote Similarity 0.671 NPC29886
Remote Similarity 0.6706 NPC32534
Remote Similarity 0.6705 NPC108011
Remote Similarity 0.6702 NPC471603
Remote Similarity 0.669 NPC473901
Remote Similarity 0.669 NPC143603
Remote Similarity 0.6689 NPC290094
Remote Similarity 0.6688 NPC32002
Remote Similarity 0.6688 NPC315348
Remote Similarity 0.6688 NPC316811
Remote Similarity 0.6687 NPC470233
Remote Similarity 0.6687 NPC204141
Remote Similarity 0.6686 NPC49217
Remote Similarity 0.6667 NPC82295
Remote Similarity 0.6667 NPC476566
Remote Similarity 0.6667 NPC256893
Remote Similarity 0.6667 NPC20144
Remote Similarity 0.6667 NPC265710
Remote Similarity 0.6667 NPC65408
Remote Similarity 0.6667 NPC116555
Remote Similarity 0.6667 NPC317105
Remote Similarity 0.6667 NPC105127
Remote Similarity 0.6667 NPC82331
Remote Similarity 0.6646 NPC469767
Remote Similarity 0.6646 NPC115611
Remote Similarity 0.6646 NPC469761
Remote Similarity 0.6646 NPC469784
Remote Similarity 0.6646 NPC469783
Remote Similarity 0.6646 NPC469768
Remote Similarity 0.6646 NPC469779
Remote Similarity 0.6646 NPC469780
Remote Similarity 0.6645 NPC198988
Remote Similarity 0.6629 NPC16659
Remote Similarity 0.6627 NPC274229
Remote Similarity 0.6609 NPC473380
Remote Similarity 0.6609 NPC240088
Remote Similarity 0.6604 NPC469766
Remote Similarity 0.6601 NPC282398
Remote Similarity 0.66 NPC146373
Remote Similarity 0.66 NPC245244
Remote Similarity 0.66 NPC166424
Remote Similarity 0.6571 NPC12649
Remote Similarity 0.6562 NPC190296
Remote Similarity 0.6561 NPC472288
Remote Similarity 0.6556 NPC169625
Remote Similarity 0.6556 NPC202957
Remote Similarity 0.6556 NPC135488
Remote Similarity 0.6552 NPC280852
Remote Similarity 0.6548 NPC25899
Remote Similarity 0.6541 NPC279081
Remote Similarity 0.6536 NPC71236
Remote Similarity 0.6534 NPC314281
Remote Similarity 0.6534 NPC40530
Remote Similarity 0.6527 NPC124276
Remote Similarity 0.6527 NPC129721
Remote Similarity 0.6513 NPC471313
Remote Similarity 0.6513 NPC471311
Remote Similarity 0.6512 NPC97343
Remote Similarity 0.651 NPC329825
Remote Similarity 0.6497 NPC328029
Remote Similarity 0.6497 NPC325252
Remote Similarity 0.6481 NPC86288
Remote Similarity 0.6481 NPC285731
Remote Similarity 0.6481 NPC314372
Remote Similarity 0.6478 NPC104483
Remote Similarity 0.6471 NPC187191
Remote Similarity 0.6471 NPC89490
Remote Similarity 0.6471 NPC313823
Remote Similarity 0.6471 NPC326248
Remote Similarity 0.6457 NPC474958
Remote Similarity 0.6456 NPC125746
Remote Similarity 0.6452 NPC324611
Remote Similarity 0.6442 NPC288838
Remote Similarity 0.6442 NPC478186
Remote Similarity 0.6441 NPC24864
Remote Similarity 0.6438 NPC230002
Remote Similarity 0.6437 NPC314557
Remote Similarity 0.6433 NPC195507
Remote Similarity 0.6433 NPC2165
Remote Similarity 0.6429 NPC329896
Remote Similarity 0.6429 NPC475105
Remote Similarity 0.6429 NPC475090
Remote Similarity 0.6424 NPC53947
Remote Similarity 0.6419 NPC11863
Remote Similarity 0.6415 NPC169433
Remote Similarity 0.6415 NPC104049
Remote Similarity 0.6412 NPC48192
Remote Similarity 0.6402 NPC471957
Remote Similarity 0.64 NPC471579
Remote Similarity 0.64 NPC56856
Remote Similarity 0.6396 NPC267811
Remote Similarity 0.6391 NPC56765
Remote Similarity 0.6389 NPC476341
Remote Similarity 0.638 NPC159856
Remote Similarity 0.6379 NPC54214
Remote Similarity 0.6375 NPC88097
Remote Similarity 0.6364 NPC315715
Remote Similarity 0.6355 NPC107160
Remote Similarity 0.6353 NPC215584
Remote Similarity 0.6353 NPC44773
Remote Similarity 0.6347 NPC200214
Remote Similarity 0.6335 NPC284635
Remote Similarity 0.6327 NPC282247
Remote Similarity 0.6327 NPC148140
Remote Similarity 0.6325 NPC24678
Remote Similarity 0.6325 NPC105818
Remote Similarity 0.6322 NPC164664
Remote Similarity 0.6322 NPC476518
Remote Similarity 0.6313 NPC191415
Remote Similarity 0.631 NPC34844
Remote Similarity 0.6304 NPC273327
Remote Similarity 0.6299 NPC212125
Remote Similarity 0.6296 NPC476454
Remote Similarity 0.6287 NPC470823
Remote Similarity 0.6286 NPC14651
Remote Similarity 0.6286 NPC121658
Remote Similarity 0.6284 NPC81561
Remote Similarity 0.628 NPC470440
Remote Similarity 0.6279 NPC90723
Remote Similarity 0.6272 NPC51054
Remote Similarity 0.6264 NPC278874
Remote Similarity 0.626 NPC14223
Remote Similarity 0.6257 NPC73994
Remote Similarity 0.625 NPC73952
Remote Similarity 0.625 NPC469765
Remote Similarity 0.625 NPC111624
Remote Similarity 0.625 NPC138842
Remote Similarity 0.625 NPC259644
Remote Similarity 0.625 NPC469763
Remote Similarity 0.625 NPC469786

Drug Structure

External Identifiers

TTD   DIB004298
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  173.10
ALogP  0.0761
MLogP  2.23
XLogP  1.926
HDA  3
HBD  0
Rotatable Bonds  3
TPSA  30.71
RO5 Violation  0