Drug Information

Drug ID:  NPD2373
Drug Name:  
Molecular Formula:  C17H16ClN3O
Canonical SMILES:  CCc1ccc2c(n1)n(CC)c(=O)nc2c1cccc(c1)Cl
Standard InCHI:  InChI=1S/C17H16ClN3O/c1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13/h5-10H,3-4H2,1-2H3
Standard InCHIKey:  MNHXYNNKDDXKNP-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2373

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 0.7692 NPC32002
Intermediate Similarity 0.7692 NPC315348
Intermediate Similarity 0.7633 NPC116961
Intermediate Similarity 0.7018 NPC477591
Intermediate Similarity 0.7 NPC476464
Intermediate Similarity 0.7 NPC81561
Intermediate Similarity 0.7 NPC325599
Remote Similarity 0.6994 NPC238499
Remote Similarity 0.6961 NPC471609
Remote Similarity 0.6933 NPC104483
Remote Similarity 0.6933 NPC148140
Remote Similarity 0.6928 NPC470440
Remote Similarity 0.6918 NPC101165
Remote Similarity 0.6914 NPC314102
Remote Similarity 0.6914 NPC251722
Remote Similarity 0.6914 NPC471312
Remote Similarity 0.691 NPC317054
Remote Similarity 0.6909 NPC20144
Remote Similarity 0.6842 NPC162689
Remote Similarity 0.6842 NPC54102
Remote Similarity 0.6842 NPC476219
Remote Similarity 0.6826 NPC204141
Remote Similarity 0.68 NPC478182
Remote Similarity 0.6795 NPC122718
Remote Similarity 0.6786 NPC478186
Remote Similarity 0.6753 NPC215519
Remote Similarity 0.6744 NPC476297
Remote Similarity 0.6739 NPC21429
Remote Similarity 0.6739 NPC285923
Remote Similarity 0.6727 NPC316811
Remote Similarity 0.6711 NPC476566
Remote Similarity 0.6708 NPC256893
Remote Similarity 0.6708 NPC471322
Remote Similarity 0.6707 NPC125746
Remote Similarity 0.6687 NPC198988
Remote Similarity 0.6687 NPC59084
Remote Similarity 0.6687 NPC2949
Remote Similarity 0.6686 NPC281094
Remote Similarity 0.6667 NPC16659
Remote Similarity 0.6667 NPC141612
Remote Similarity 0.6667 NPC471402
Remote Similarity 0.6667 NPC17273
Remote Similarity 0.6667 NPC135601
Remote Similarity 0.6667 NPC297486
Remote Similarity 0.6667 NPC240136
Remote Similarity 0.6648 NPC194881
Remote Similarity 0.6647 NPC473868
Remote Similarity 0.6647 NPC120070
Remote Similarity 0.6647 NPC277157
Remote Similarity 0.6647 NPC63157
Remote Similarity 0.6646 NPC22079
Remote Similarity 0.6629 NPC293487
Remote Similarity 0.6627 NPC88097
Remote Similarity 0.6624 NPC290094
Remote Similarity 0.6624 NPC46358
Remote Similarity 0.6623 NPC91958
Remote Similarity 0.6615 NPC471617
Remote Similarity 0.6612 NPC265710
Remote Similarity 0.6582 NPC476322
Remote Similarity 0.6579 NPC288232
Remote Similarity 0.6573 NPC2165
Remote Similarity 0.6573 NPC195507
Remote Similarity 0.6557 NPC28848
Remote Similarity 0.6557 NPC14325
Remote Similarity 0.655 NPC114209
Remote Similarity 0.655 NPC21605
Remote Similarity 0.6548 NPC476454
Remote Similarity 0.6545 NPC325252
Remote Similarity 0.6543 NPC69914
Remote Similarity 0.6536 NPC478183
Remote Similarity 0.6529 NPC469525
Remote Similarity 0.6522 NPC89490
Remote Similarity 0.6517 NPC478184
Remote Similarity 0.6514 NPC51054
Remote Similarity 0.6506 NPC150259
Remote Similarity 0.6506 NPC65408
Remote Similarity 0.65 NPC202957
Remote Similarity 0.65 NPC169625
Remote Similarity 0.6497 NPC182570
Remote Similarity 0.6497 NPC48564
Remote Similarity 0.6497 NPC265605
Remote Similarity 0.6494 NPC200214
Remote Similarity 0.6491 NPC143872
Remote Similarity 0.6486 NPC314919
Remote Similarity 0.6484 NPC161861
Remote Similarity 0.6481 NPC329896
Remote Similarity 0.6481 NPC475105
Remote Similarity 0.6481 NPC475090
Remote Similarity 0.6481 NPC476131
Remote Similarity 0.6474 NPC33421
Remote Similarity 0.6474 NPC40070
Remote Similarity 0.6467 NPC240088
Remote Similarity 0.6467 NPC473380
Remote Similarity 0.6464 NPC91895
Remote Similarity 0.6461 NPC225018
Remote Similarity 0.6461 NPC470203
Remote Similarity 0.6461 NPC478185
Remote Similarity 0.646 NPC278451
Remote Similarity 0.6441 NPC6436
Remote Similarity 0.6441 NPC475990
Remote Similarity 0.6437 NPC117032
Remote Similarity 0.6437 NPC470233
Remote Similarity 0.6429 NPC476688
Remote Similarity 0.6429 NPC476686
Remote Similarity 0.6429 NPC105758
Remote Similarity 0.6425 NPC271797
Remote Similarity 0.6425 NPC21174
Remote Similarity 0.6416 NPC37548
Remote Similarity 0.641 NPC143603
Remote Similarity 0.6409 NPC278874
Remote Similarity 0.6404 NPC470204
Remote Similarity 0.6404 NPC122141
Remote Similarity 0.6404 NPC255229
Remote Similarity 0.6404 NPC81229
Remote Similarity 0.6398 NPC476140
Remote Similarity 0.6393 NPC208060
Remote Similarity 0.6387 NPC192209
Remote Similarity 0.6384 NPC129721
Remote Similarity 0.6384 NPC477887
Remote Similarity 0.6383 NPC470003
Remote Similarity 0.6374 NPC242556
Remote Similarity 0.6374 NPC32534
Remote Similarity 0.6374 NPC65080
Remote Similarity 0.6369 NPC169433
Remote Similarity 0.6358 NPC471313
Remote Similarity 0.6358 NPC470111
Remote Similarity 0.6358 NPC471311
Remote Similarity 0.6354 NPC49217
Remote Similarity 0.6352 NPC329825
Remote Similarity 0.6349 NPC476341
Remote Similarity 0.6345 NPC213774
Remote Similarity 0.6341 NPC282398
Remote Similarity 0.634 NPC314141
Remote Similarity 0.634 NPC187036
Remote Similarity 0.6335 NPC166424
Remote Similarity 0.6335 NPC245244
Remote Similarity 0.6335 NPC146373
Remote Similarity 0.6333 NPC247987
Remote Similarity 0.6331 NPC73767
Remote Similarity 0.6323 NPC84268
Remote Similarity 0.6322 NPC187951
Remote Similarity 0.6318 NPC243850
Remote Similarity 0.6316 NPC311858
Remote Similarity 0.6316 NPC27802
Remote Similarity 0.6313 NPC469308
Remote Similarity 0.6303 NPC475450
Remote Similarity 0.6294 NPC469761
Remote Similarity 0.6294 NPC469767
Remote Similarity 0.6294 NPC469768
Remote Similarity 0.6294 NPC469784
Remote Similarity 0.6294 NPC469783
Remote Similarity 0.6294 NPC469780
Remote Similarity 0.6294 NPC115611
Remote Similarity 0.6294 NPC469779
Remote Similarity 0.6292 NPC299594
Remote Similarity 0.6282 NPC313449
Remote Similarity 0.6277 NPC477891
Remote Similarity 0.6271 NPC470507
Remote Similarity 0.6271 NPC38736
Remote Similarity 0.6266 NPC317564
Remote Similarity 0.6264 NPC56233
Remote Similarity 0.6264 NPC477974
Remote Similarity 0.6257 NPC221786
Remote Similarity 0.6257 NPC469766
Remote Similarity 0.6257 NPC318065
Remote Similarity 0.6257 NPC56765
Remote Similarity 0.6257 NPC206819
Remote Similarity 0.6257 NPC12649
Remote Similarity 0.6257 NPC248462
Remote Similarity 0.6257 NPC474880
Remote Similarity 0.625 NPC469975
Remote Similarity 0.625 NPC41174
Remote Similarity 0.625 NPC218268
Remote Similarity 0.6243 NPC133306
Remote Similarity 0.6243 NPC86288
Remote Similarity 0.6243 NPC314372
Remote Similarity 0.6237 NPC314058
Remote Similarity 0.6237 NPC316359
Remote Similarity 0.6237 NPC316018
Remote Similarity 0.6237 NPC315617
Remote Similarity 0.6237 NPC288785
Remote Similarity 0.6236 NPC285469
Remote Similarity 0.6235 NPC110126
Remote Similarity 0.6234 NPC296163
Remote Similarity 0.6229 NPC124005
Remote Similarity 0.6228 NPC300299
Remote Similarity 0.6223 NPC91179
Remote Similarity 0.6222 NPC229173
Remote Similarity 0.6221 NPC190296
Remote Similarity 0.6215 NPC232798
Remote Similarity 0.6213 NPC84911
Remote Similarity 0.6207 NPC71238
Remote Similarity 0.6203 NPC326575
Remote Similarity 0.6196 NPC164664
Remote Similarity 0.6196 NPC194411
Remote Similarity 0.6196 NPC250361
Remote Similarity 0.6193 NPC105818
Remote Similarity 0.6193 NPC24678
Remote Similarity 0.619 NPC144114
Remote Similarity 0.6188 NPC224632

Drug Structure

External Identifiers

TTD   DIB008134
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   6604918
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  313.10
ALogP  -0.0079
MLogP  2.78
XLogP  4.202
HDA  4
HBD  0
Rotatable Bonds  6
TPSA  45.56
RO5 Violation  0