Drug Information

Drug ID:  NPD264
Drug Name:  
Molecular Formula:  C10H14ClN3
Canonical SMILES:  NC1CCN(CC1)c1cccc(n1)Cl
Standard InCHI:  InChI=1S/C10H14ClN3/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14/h1-3,8H,4-7,12H2
Standard InCHIKey:  WPVVMKYQOMJPIN-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD264

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 0.7769 NPC84268
Intermediate Similarity 0.7092 NPC146373
Intermediate Similarity 0.7092 NPC166424
Intermediate Similarity 0.7092 NPC245244
Remote Similarity 0.6954 NPC476454
Remote Similarity 0.6792 NPC476464
Remote Similarity 0.6783 NPC27740
Remote Similarity 0.6739 NPC125416
Remote Similarity 0.673 NPC120070
Remote Similarity 0.6711 NPC315348
Remote Similarity 0.6711 NPC32002
Remote Similarity 0.6692 NPC83987
Remote Similarity 0.6689 NPC101165
Remote Similarity 0.6689 NPC471322
Remote Similarity 0.6667 NPC213774
Remote Similarity 0.6623 NPC216159
Remote Similarity 0.6603 NPC204141
Remote Similarity 0.6579 NPC471312
Remote Similarity 0.6573 NPC265605
Remote Similarity 0.6573 NPC48564
Remote Similarity 0.6573 NPC182570
Remote Similarity 0.6522 NPC476219
Remote Similarity 0.6519 NPC231655
Remote Similarity 0.6438 NPC476322
Remote Similarity 0.6397 NPC76540
Remote Similarity 0.6387 NPC88097
Remote Similarity 0.6377 NPC27802
Remote Similarity 0.6364 NPC125746
Remote Similarity 0.6319 NPC476297
Remote Similarity 0.6316 NPC317054
Remote Similarity 0.6312 NPC114209
Remote Similarity 0.6312 NPC143156
Remote Similarity 0.6299 NPC325252
Remote Similarity 0.6294 NPC240136
Remote Similarity 0.6294 NPC297486
Remote Similarity 0.6294 NPC471402
Remote Similarity 0.6291 NPC282398
Remote Similarity 0.6286 NPC235843
Remote Similarity 0.6286 NPC471609
Remote Similarity 0.6267 NPC89490
Remote Similarity 0.625 NPC91958
Remote Similarity 0.6242 NPC135488
Remote Similarity 0.6234 NPC198988
Remote Similarity 0.6225 NPC329896
Remote Similarity 0.6225 NPC475090
Remote Similarity 0.6225 NPC475105
Remote Similarity 0.6225 NPC476131
Remote Similarity 0.6211 NPC21605
Remote Similarity 0.6203 NPC63157
Remote Similarity 0.6203 NPC473868
Remote Similarity 0.619 NPC329825
Remote Similarity 0.6184 NPC69914
Remote Similarity 0.6164 NPC42483
Remote Similarity 0.6139 NPC59084
Remote Similarity 0.6138 NPC143603
Remote Similarity 0.6133 NPC75999
Remote Similarity 0.6127 NPC473901
Remote Similarity 0.6111 NPC148140
Remote Similarity 0.6108 NPC477591
Remote Similarity 0.6095 NPC247987
Remote Similarity 0.6071 NPC470204
Remote Similarity 0.6069 NPC81561
Remote Similarity 0.6049 NPC143872
Remote Similarity 0.6047 NPC116961
Remote Similarity 0.604 NPC46358
Remote Similarity 0.604 NPC290094
Remote Similarity 0.6039 NPC324611
Remote Similarity 0.6038 NPC115611
Remote Similarity 0.6038 NPC2949
Remote Similarity 0.6036 NPC470203
Remote Similarity 0.6027 NPC162689
Remote Similarity 0.6027 NPC54102
Remote Similarity 0.6026 NPC469949
Remote Similarity 0.5987 NPC218268
Remote Similarity 0.5987 NPC471313
Remote Similarity 0.5987 NPC471311
Remote Similarity 0.5975 NPC110126
Remote Similarity 0.5974 NPC22079
Remote Similarity 0.5965 NPC195507
Remote Similarity 0.5965 NPC2165
Remote Similarity 0.5963 NPC320863
Remote Similarity 0.5963 NPC20144
Remote Similarity 0.5955 NPC47596
Remote Similarity 0.5949 NPC105127
Remote Similarity 0.5949 NPC65408
Remote Similarity 0.5946 NPC215519
Remote Similarity 0.5944 NPC314141
Remote Similarity 0.5941 NPC253687
Remote Similarity 0.5921 NPC202957
Remote Similarity 0.5921 NPC169625
Remote Similarity 0.5917 NPC474880
Remote Similarity 0.5917 NPC221786
Remote Similarity 0.5917 NPC300238
Remote Similarity 0.5917 NPC475990
Remote Similarity 0.5904 NPC470233
Remote Similarity 0.589 NPC470440
Remote Similarity 0.589 NPC476566
Remote Similarity 0.5889 NPC285923
Remote Similarity 0.5886 NPC96102
Remote Similarity 0.5882 NPC122141
Remote Similarity 0.5882 NPC306397
Remote Similarity 0.5878 NPC11863
Remote Similarity 0.5875 NPC73767
Remote Similarity 0.5868 NPC232798
Remote Similarity 0.5867 NPC56856
Remote Similarity 0.5867 NPC41174
Remote Similarity 0.5858 NPC469897
Remote Similarity 0.5849 NPC314102
Remote Similarity 0.5849 NPC84911
Remote Similarity 0.5849 NPC251722
Remote Similarity 0.5847 NPC472289
Remote Similarity 0.5843 NPC33421
Remote Similarity 0.5843 NPC40070
Remote Similarity 0.5838 NPC49217
Remote Similarity 0.5833 NPC229055
Remote Similarity 0.5833 NPC82295
Remote Similarity 0.5833 NPC256893
Remote Similarity 0.5818 NPC469811
Remote Similarity 0.5817 NPC250361
Remote Similarity 0.5816 NPC164802
Remote Similarity 0.581 NPC314919
Remote Similarity 0.5805 NPC278874
Remote Similarity 0.5799 NPC169586
Remote Similarity 0.5793 NPC86288
Remote Similarity 0.5789 NPC122718
Remote Similarity 0.5789 NPC229173
Remote Similarity 0.5786 NPC261195
Remote Similarity 0.5786 NPC29886
Remote Similarity 0.5783 NPC321911
Remote Similarity 0.5779 NPC212125
Remote Similarity 0.5776 NPC316811
Remote Similarity 0.5776 NPC104483
Remote Similarity 0.5758 NPC63545
Remote Similarity 0.5756 NPC225018
Remote Similarity 0.5742 NPC473762
Remote Similarity 0.5741 NPC469779
Remote Similarity 0.5741 NPC469784
Remote Similarity 0.5741 NPC469780
Remote Similarity 0.5741 NPC469768
Remote Similarity 0.5741 NPC284635
Remote Similarity 0.5741 NPC469783
Remote Similarity 0.5741 NPC469761
Remote Similarity 0.5741 NPC279081
Remote Similarity 0.5741 NPC469767
Remote Similarity 0.5739 NPC476421
Remote Similarity 0.5739 NPC476688
Remote Similarity 0.5739 NPC28096
Remote Similarity 0.5739 NPC105758
Remote Similarity 0.5739 NPC476686
Remote Similarity 0.5739 NPC227489
Remote Similarity 0.5731 NPC56765
Remote Similarity 0.5723 NPC201380
Remote Similarity 0.5723 NPC21174
Remote Similarity 0.5723 NPC271797
Remote Similarity 0.5723 NPC179787
Remote Similarity 0.5714 NPC476140
Remote Similarity 0.5706 NPC469766
Remote Similarity 0.5706 NPC208060
Remote Similarity 0.5705 NPC473587
Remote Similarity 0.5697 NPC467188
Remote Similarity 0.5696 NPC330326
Remote Similarity 0.5689 NPC282531
Remote Similarity 0.5687 NPC328029
Remote Similarity 0.5683 NPC474430
Remote Similarity 0.5682 NPC164664
Remote Similarity 0.568 NPC325903
Remote Similarity 0.5673 NPC167635
Remote Similarity 0.5673 NPC193740
Remote Similarity 0.5671 NPC190296
Remote Similarity 0.5669 NPC475428
Remote Similarity 0.5667 NPC265710
Remote Similarity 0.5665 NPC224632
Remote Similarity 0.5663 NPC288838
Remote Similarity 0.5652 NPC141612
Remote Similarity 0.5652 NPC135601
Remote Similarity 0.5652 NPC17273
Remote Similarity 0.565 NPC226835
Remote Similarity 0.5649 NPC151489
Remote Similarity 0.5646 NPC288232
Remote Similarity 0.5644 NPC230002
Remote Similarity 0.5642 NPC136441
Remote Similarity 0.5641 NPC313823
Remote Similarity 0.564 NPC84508
Remote Similarity 0.5635 NPC16659
Remote Similarity 0.5633 NPC475450
Remote Similarity 0.5633 NPC179365
Remote Similarity 0.5632 NPC206148
Remote Similarity 0.5629 NPC105811
Remote Similarity 0.5628 NPC21429
Remote Similarity 0.5625 NPC317430
Remote Similarity 0.5621 NPC469975
Remote Similarity 0.562 NPC317642
Remote Similarity 0.5617 NPC104049
Remote Similarity 0.5617 NPC169433
Remote Similarity 0.5614 NPC115049
Remote Similarity 0.5611 NPC240088
Remote Similarity 0.5611 NPC473380
Remote Similarity 0.5604 NPC307191
Remote Similarity 0.5602 NPC159856
Remote Similarity 0.5602 NPC314372

Drug Structure

External Identifiers

TTD   DIB014632
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   131747
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  211.09
ALogP  -0.8062
MLogP  2.12
XLogP  1.747
HDA  3
HBD  1
Rotatable Bonds  3
TPSA  42.15
RO5 Violation  0