Drug Information

Drug ID:  NPD1342
Drug Name:  
Molecular Formula:  C14H18N2O
Canonical SMILES:  CC(c1c(C)n(n(c1=O)c1ccccc1)C)C
Standard InCHI:  InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
Standard InCHIKey:  PXWLVJLKJGVOKE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1342

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
High Similarity 0.93 NPC326792
High Similarity 0.8952 NPC20322
Intermediate Similarity 0.8462 NPC75496
Intermediate Similarity 0.8174 NPC31651
Intermediate Similarity 0.7154 NPC177684
Intermediate Similarity 0.7154 NPC291962
Intermediate Similarity 0.7097 NPC161956
Intermediate Similarity 0.7097 NPC258531
Intermediate Similarity 0.7097 NPC112373
Intermediate Similarity 0.7083 NPC57051
Intermediate Similarity 0.7045 NPC316104
Intermediate Similarity 0.7045 NPC162417
Intermediate Similarity 0.7016 NPC226143
Remote Similarity 0.6963 NPC469560
Remote Similarity 0.6905 NPC257490
Remote Similarity 0.687 NPC187231
Remote Similarity 0.687 NPC291610
Remote Similarity 0.6857 NPC134825
Remote Similarity 0.6825 NPC279385
Remote Similarity 0.6825 NPC179605
Remote Similarity 0.6797 NPC254698
Remote Similarity 0.6772 NPC103292
Remote Similarity 0.6739 NPC471164
Remote Similarity 0.6719 NPC39818
Remote Similarity 0.6692 NPC470343
Remote Similarity 0.6692 NPC472244
Remote Similarity 0.6691 NPC471123
Remote Similarity 0.6667 NPC150863
Remote Similarity 0.6667 NPC130251
Remote Similarity 0.6667 NPC228515
Remote Similarity 0.6667 NPC204156
Remote Similarity 0.6641 NPC250476
Remote Similarity 0.6619 NPC301760
Remote Similarity 0.6618 NPC300299
Remote Similarity 0.6617 NPC472245
Remote Similarity 0.6617 NPC314431
Remote Similarity 0.6617 NPC280807
Remote Similarity 0.6587 NPC192209
Remote Similarity 0.6574 NPC229477
Remote Similarity 0.6567 NPC231382
Remote Similarity 0.6562 NPC316582
Remote Similarity 0.6547 NPC315051
Remote Similarity 0.6532 NPC296163
Remote Similarity 0.6519 NPC53044
Remote Similarity 0.6519 NPC207428
Remote Similarity 0.6515 NPC322433
Remote Similarity 0.6509 NPC307456
Remote Similarity 0.6507 NPC117032
Remote Similarity 0.6475 NPC83214
Remote Similarity 0.6462 NPC268534
Remote Similarity 0.6446 NPC172170
Remote Similarity 0.6429 NPC92689
Remote Similarity 0.6429 NPC288232
Remote Similarity 0.6429 NPC78154
Remote Similarity 0.6418 NPC209389
Remote Similarity 0.64 NPC187036
Remote Similarity 0.6389 NPC15839
Remote Similarity 0.6387 NPC474430
Remote Similarity 0.6383 NPC2823
Remote Similarity 0.6383 NPC471574
Remote Similarity 0.6364 NPC192533
Remote Similarity 0.6333 NPC275467
Remote Similarity 0.6331 NPC267508
Remote Similarity 0.6312 NPC207554
Remote Similarity 0.6306 NPC305602
Remote Similarity 0.6306 NPC17497
Remote Similarity 0.6294 NPC308197
Remote Similarity 0.6294 NPC469537
Remote Similarity 0.6286 NPC122553
Remote Similarity 0.6277 NPC40364
Remote Similarity 0.6268 NPC470301
Remote Similarity 0.6268 NPC22082
Remote Similarity 0.6268 NPC186284
Remote Similarity 0.6259 NPC473329
Remote Similarity 0.625 NPC136002
Remote Similarity 0.625 NPC470822
Remote Similarity 0.625 NPC297532
Remote Similarity 0.6224 NPC238499
Remote Similarity 0.6216 NPC154602
Remote Similarity 0.6216 NPC243756
Remote Similarity 0.6204 NPC314098
Remote Similarity 0.619 NPC242000
Remote Similarity 0.6187 NPC253476
Remote Similarity 0.6179 NPC55529
Remote Similarity 0.6174 NPC473661
Remote Similarity 0.6174 NPC122106
Remote Similarity 0.6174 NPC285381
Remote Similarity 0.6148 NPC313362
Remote Similarity 0.6143 NPC173295
Remote Similarity 0.6121 NPC474974
Remote Similarity 0.6107 NPC66936
Remote Similarity 0.6102 NPC472258
Remote Similarity 0.6099 NPC325599
Remote Similarity 0.6098 NPC471447
Remote Similarity 0.6095 NPC301874
Remote Similarity 0.6084 NPC472243
Remote Similarity 0.6077 NPC313449
Remote Similarity 0.6069 NPC478040
Remote Similarity 0.6068 NPC256452
Remote Similarity 0.6066 NPC38262
Remote Similarity 0.6056 NPC287358
Remote Similarity 0.6038 NPC271642
Remote Similarity 0.6031 NPC264580
Remote Similarity 0.6027 NPC314186
Remote Similarity 0.6026 NPC281094
Remote Similarity 0.6019 NPC271732
Remote Similarity 0.6018 NPC262295
Remote Similarity 0.6015 NPC475915
Remote Similarity 0.6014 NPC194562
Remote Similarity 0.6014 NPC65408
Remote Similarity 0.6013 NPC477887
Remote Similarity 0.6 NPC164802
Remote Similarity 0.6 NPC302790
Remote Similarity 0.6 NPC66775
Remote Similarity 0.6 NPC472241
Remote Similarity 0.6 NPC313673
Remote Similarity 0.5985 NPC476950
Remote Similarity 0.5985 NPC478079
Remote Similarity 0.5984 NPC178681
Remote Similarity 0.5983 NPC476483
Remote Similarity 0.5972 NPC242933
Remote Similarity 0.5965 NPC111233
Remote Similarity 0.5965 NPC30445
Remote Similarity 0.5959 NPC277157
Remote Similarity 0.5957 NPC330326
Remote Similarity 0.5957 NPC184437
Remote Similarity 0.5956 NPC79698
Remote Similarity 0.5948 NPC29285
Remote Similarity 0.5946 NPC478039
Remote Similarity 0.5946 NPC324445
Remote Similarity 0.5943 NPC98976
Remote Similarity 0.5935 NPC315368
Remote Similarity 0.5935 NPC143457
Remote Similarity 0.5931 NPC43477
Remote Similarity 0.5929 NPC476689
Remote Similarity 0.5929 NPC476685
Remote Similarity 0.5929 NPC476687
Remote Similarity 0.592 NPC434
Remote Similarity 0.592 NPC79618
Remote Similarity 0.5913 NPC173991
Remote Similarity 0.5909 NPC222029
Remote Similarity 0.5909 NPC113946
Remote Similarity 0.5909 NPC104345
Remote Similarity 0.5906 NPC212799
Remote Similarity 0.5899 NPC9856
Remote Similarity 0.5887 NPC143516
Remote Similarity 0.5887 NPC473418
Remote Similarity 0.5878 NPC472242
Remote Similarity 0.5871 NPC193410
Remote Similarity 0.5871 NPC36495
Remote Similarity 0.5867 NPC237649
Remote Similarity 0.5867 NPC109787
Remote Similarity 0.5867 NPC300596
Remote Similarity 0.5862 NPC191444
Remote Similarity 0.5849 NPC63047
Remote Similarity 0.5849 NPC475248
Remote Similarity 0.5847 NPC71140
Remote Similarity 0.5846 NPC470550
Remote Similarity 0.5844 NPC469536
Remote Similarity 0.5844 NPC84317
Remote Similarity 0.584 NPC473498
Remote Similarity 0.584 NPC474804
Remote Similarity 0.584 NPC474973
Remote Similarity 0.584 NPC130898
Remote Similarity 0.5839 NPC474926
Remote Similarity 0.5839 NPC470440
Remote Similarity 0.5833 NPC474058
Remote Similarity 0.5833 NPC68650
Remote Similarity 0.5833 NPC309531
Remote Similarity 0.5833 NPC248117
Remote Similarity 0.5833 NPC472102
Remote Similarity 0.5817 NPC295021
Remote Similarity 0.5806 NPC61013
Remote Similarity 0.5806 NPC123241
Remote Similarity 0.5802 NPC469529
Remote Similarity 0.58 NPC478186
Remote Similarity 0.5796 NPC286871
Remote Similarity 0.5796 NPC472101
Remote Similarity 0.5796 NPC472120
Remote Similarity 0.5796 NPC176983
Remote Similarity 0.5796 NPC472117
Remote Similarity 0.5789 NPC314223
Remote Similarity 0.5786 NPC214960
Remote Similarity 0.5786 NPC279527
Remote Similarity 0.5785 NPC317642
Remote Similarity 0.578 NPC12857
Remote Similarity 0.5776 NPC176858
Remote Similarity 0.5776 NPC355
Remote Similarity 0.5772 NPC329375
Remote Similarity 0.5769 NPC276085
Remote Similarity 0.5769 NPC154478
Remote Similarity 0.5769 NPC314141
Remote Similarity 0.5769 NPC471122
Remote Similarity 0.5766 NPC317758
Remote Similarity 0.5758 NPC239357
Remote Similarity 0.5755 NPC145754
Remote Similarity 0.5745 NPC126458
Remote Similarity 0.5739 NPC53492
Remote Similarity 0.5736 NPC181390
Remote Similarity 0.5732 NPC201424

Drug Structure

External Identifiers

TTD   DIB009800
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  230.14
ALogP  0.3185
MLogP  2.67
XLogP  3.447
HDA  3
HBD  0
Rotatable Bonds  6
TPSA  23.55
RO5 Violation  0