Drug Information

Drug ID:  NPD9305
Drug Name:  
Molecular Formula:  C7H9N5S
Canonical SMILES:  SC(=N)N/N=C/c1ncccc1N
Standard InCHI:  InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+
Standard InCHIKey:  XMYKNCNAZKMVQN-NYYWCZLTSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9305

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 0.8049 NPC231655
Intermediate Similarity 0.7705 NPC83987
Intermediate Similarity 0.7692 NPC84268
Intermediate Similarity 0.7442 NPC27802
Intermediate Similarity 0.7344 NPC76540
Intermediate Similarity 0.7319 NPC27740
Intermediate Similarity 0.7273 NPC473901
Intermediate Similarity 0.7267 NPC63545
Intermediate Similarity 0.7266 NPC245244
Intermediate Similarity 0.7266 NPC146373
Intermediate Similarity 0.7266 NPC166424
Intermediate Similarity 0.7258 NPC213774
Intermediate Similarity 0.7254 NPC282398
Intermediate Similarity 0.7246 NPC46358
Intermediate Similarity 0.7244 NPC470204
Intermediate Similarity 0.7244 NPC122141
Intermediate Similarity 0.7219 NPC179787
Intermediate Similarity 0.7219 NPC469811
Intermediate Similarity 0.7219 NPC201380
Intermediate Similarity 0.7218 NPC143156
Intermediate Similarity 0.7208 NPC120070
Intermediate Similarity 0.7197 NPC235843
Intermediate Similarity 0.7197 NPC470203
Intermediate Similarity 0.7171 NPC321911
Intermediate Similarity 0.7101 NPC182570
Intermediate Similarity 0.7101 NPC48564
Intermediate Similarity 0.7101 NPC265605
Intermediate Similarity 0.7089 NPC225018
Intermediate Similarity 0.7083 NPC101165
Intermediate Similarity 0.7059 NPC297486
Intermediate Similarity 0.7059 NPC240136
Intermediate Similarity 0.7059 NPC471402
Intermediate Similarity 0.7039 NPC143872
Intermediate Similarity 0.7032 NPC325903
Intermediate Similarity 0.7007 NPC91958
Intermediate Similarity 0.7007 NPC96102
Remote Similarity 0.6993 NPC89490
Remote Similarity 0.6981 NPC253687
Remote Similarity 0.6966 NPC471322
Remote Similarity 0.6966 NPC82295
Remote Similarity 0.6959 NPC84911
Remote Similarity 0.6959 NPC105127
Remote Similarity 0.6957 NPC11863
Remote Similarity 0.6951 NPC471579
Remote Similarity 0.6944 NPC475090
Remote Similarity 0.6944 NPC475105
Remote Similarity 0.6944 NPC329896
Remote Similarity 0.6929 NPC56856
Remote Similarity 0.6899 NPC236711
Remote Similarity 0.6892 NPC29886
Remote Similarity 0.6892 NPC261195
Remote Similarity 0.6884 NPC143603
Remote Similarity 0.6883 NPC470111
Remote Similarity 0.6879 NPC290094
Remote Similarity 0.6875 NPC313823
Remote Similarity 0.6867 NPC73767
Remote Similarity 0.6867 NPC110126
Remote Similarity 0.6853 NPC135488
Remote Similarity 0.6849 NPC256893
Remote Similarity 0.6846 NPC251722
Remote Similarity 0.6846 NPC314102
Remote Similarity 0.6831 NPC476322
Remote Similarity 0.6821 NPC469783
Remote Similarity 0.6821 NPC469761
Remote Similarity 0.6821 NPC469779
Remote Similarity 0.6821 NPC469768
Remote Similarity 0.6821 NPC469784
Remote Similarity 0.6821 NPC469780
Remote Similarity 0.6821 NPC279081
Remote Similarity 0.6821 NPC469767
Remote Similarity 0.6803 NPC330326
Remote Similarity 0.6779 NPC328029
Remote Similarity 0.6776 NPC469766
Remote Similarity 0.6774 NPC471957
Remote Similarity 0.6753 NPC204141
Remote Similarity 0.6752 NPC470823
Remote Similarity 0.6736 NPC202957
Remote Similarity 0.6736 NPC169625
Remote Similarity 0.6733 NPC125746
Remote Similarity 0.6732 NPC190296
Remote Similarity 0.6728 NPC317105
Remote Similarity 0.6711 NPC230002
Remote Similarity 0.6711 NPC198988
Remote Similarity 0.669 NPC471313
Remote Similarity 0.669 NPC471311
Remote Similarity 0.669 NPC306397
Remote Similarity 0.6689 NPC169433
Remote Similarity 0.6687 NPC274229
Remote Similarity 0.6667 NPC325252
Remote Similarity 0.6647 NPC307191
Remote Similarity 0.6647 NPC317054
Remote Similarity 0.6646 NPC470233
Remote Similarity 0.6646 NPC216713
Remote Similarity 0.6645 NPC159856
Remote Similarity 0.6645 NPC315348
Remote Similarity 0.6645 NPC316811
Remote Similarity 0.6645 NPC32002
Remote Similarity 0.6645 NPC285731
Remote Similarity 0.6645 NPC314372
Remote Similarity 0.6626 NPC478184
Remote Similarity 0.6623 NPC150259
Remote Similarity 0.6622 NPC324611
Remote Similarity 0.6604 NPC200214
Remote Similarity 0.6603 NPC288838
Remote Similarity 0.6601 NPC115611
Remote Similarity 0.6599 NPC476131
Remote Similarity 0.6582 NPC40070
Remote Similarity 0.6579 NPC104049
Remote Similarity 0.6575 NPC212125
Remote Similarity 0.6573 NPC329825
Remote Similarity 0.657 NPC108011
Remote Similarity 0.6566 NPC97343
Remote Similarity 0.6558 NPC476454
Remote Similarity 0.6556 NPC216159
Remote Similarity 0.6554 NPC69914
Remote Similarity 0.6543 NPC293487
Remote Similarity 0.6543 NPC477591
Remote Similarity 0.6538 NPC86288
Remote Similarity 0.6536 NPC88097
Remote Similarity 0.6527 NPC82331
Remote Similarity 0.6522 NPC476464
Remote Similarity 0.6509 NPC280852
Remote Similarity 0.6503 NPC25899
Remote Similarity 0.65 NPC148140
Remote Similarity 0.649 NPC291517
Remote Similarity 0.6485 NPC280864
Remote Similarity 0.6485 NPC17751
Remote Similarity 0.6481 NPC469897
Remote Similarity 0.6478 NPC24678
Remote Similarity 0.6478 NPC53947
Remote Similarity 0.6478 NPC105818
Remote Similarity 0.6467 NPC91895
Remote Similarity 0.6463 NPC48192
Remote Similarity 0.646 NPC476219
Remote Similarity 0.646 NPC476297
Remote Similarity 0.6454 NPC81561
Remote Similarity 0.6447 NPC218268
Remote Similarity 0.6443 NPC315320
Remote Similarity 0.6442 NPC56765
Remote Similarity 0.6438 NPC151489
Remote Similarity 0.6433 NPC467188
Remote Similarity 0.6424 NPC478182
Remote Similarity 0.6412 NPC474958
Remote Similarity 0.6408 NPC162689
Remote Similarity 0.6408 NPC54102
Remote Similarity 0.6405 NPC65408
Remote Similarity 0.6402 NPC215584
Remote Similarity 0.6402 NPC44773
Remote Similarity 0.6398 NPC469765
Remote Similarity 0.6398 NPC25008
Remote Similarity 0.6398 NPC469786
Remote Similarity 0.6398 NPC73952
Remote Similarity 0.6398 NPC259644
Remote Similarity 0.6398 NPC469763
Remote Similarity 0.6398 NPC141926
Remote Similarity 0.6398 NPC469760
Remote Similarity 0.6395 NPC75999
Remote Similarity 0.6392 NPC316069
Remote Similarity 0.6387 NPC284635
Remote Similarity 0.6382 NPC23215
Remote Similarity 0.6374 NPC473380
Remote Similarity 0.6374 NPC240088
Remote Similarity 0.6364 NPC478185
Remote Similarity 0.6358 NPC34844
Remote Similarity 0.6358 NPC211572
Remote Similarity 0.6358 NPC80597
Remote Similarity 0.6358 NPC212376
Remote Similarity 0.6358 NPC70922
Remote Similarity 0.6358 NPC75540
Remote Similarity 0.6351 NPC165370
Remote Similarity 0.6347 NPC478183
Remote Similarity 0.6347 NPC56233
Remote Similarity 0.6347 NPC49217
Remote Similarity 0.6345 NPC41174
Remote Similarity 0.6335 NPC70406
Remote Similarity 0.6333 NPC22079
Remote Similarity 0.6329 NPC470440
Remote Similarity 0.6325 NPC90723
Remote Similarity 0.6319 NPC215519
Remote Similarity 0.6319 NPC469785
Remote Similarity 0.6309 NPC287895
Remote Similarity 0.6309 NPC471589
Remote Similarity 0.6306 NPC20144
Remote Similarity 0.6306 NPC320863
Remote Similarity 0.6299 NPC471312
Remote Similarity 0.6296 NPC138842
Remote Similarity 0.6284 NPC476140
Remote Similarity 0.6282 NPC2949
Remote Similarity 0.6282 NPC59084
Remote Similarity 0.628 NPC216643
Remote Similarity 0.628 NPC469762
Remote Similarity 0.628 NPC286427
Remote Similarity 0.6272 NPC476518
Remote Similarity 0.6272 NPC32534
Remote Similarity 0.6268 NPC476566
Remote Similarity 0.6267 NPC71236
Remote Similarity 0.6264 NPC191415
Remote Similarity 0.6257 NPC297034
Remote Similarity 0.625 NPC105811
Remote Similarity 0.625 NPC322488

Drug Structure

External Identifiers

TTD   DNC001462
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   9571836
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  195.06
ALogP  -0.2313
MLogP  1.57
XLogP  1.894
HDA  5
HBD  3
Rotatable Bonds  5
TPSA  125.95
RO5 Violation  0