Drug Information

Drug ID:  NPD1363
Drug Name:  Oxolamine
Molecular Formula:  C14H19N3O
Canonical SMILES:  CCN(CCc1onc(n1)c1ccccc1)CC
Standard InCHI:  InChI=1S/C14H19N3O/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
Standard InCHIKey:  IDCHQQSVJAAUQQ-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1363

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
Remote Similarity 0.6936 NPC317054
Remote Similarity 0.6835 NPC65408
Remote Similarity 0.677 NPC277157
Remote Similarity 0.6708 NPC238499
Remote Similarity 0.6646 NPC470440
Remote Similarity 0.6566 NPC114209
Remote Similarity 0.6536 NPC265710
Remote Similarity 0.6513 NPC182570
Remote Similarity 0.6513 NPC48564
Remote Similarity 0.6513 NPC265605
Remote Similarity 0.6509 NPC281094
Remote Similarity 0.65 NPC16659
Remote Similarity 0.6441 NPC476686
Remote Similarity 0.6441 NPC105758
Remote Similarity 0.6441 NPC476688
Remote Similarity 0.6429 NPC290094
Remote Similarity 0.642 NPC278874
Remote Similarity 0.6415 NPC471322
Remote Similarity 0.6393 NPC21429
Remote Similarity 0.639 NPC471615
Remote Similarity 0.6389 NPC473380
Remote Similarity 0.6389 NPC240088
Remote Similarity 0.6384 NPC32534
Remote Similarity 0.6379 NPC194881
Remote Similarity 0.6359 NPC476341
Remote Similarity 0.6358 NPC216159
Remote Similarity 0.6353 NPC469975
Remote Similarity 0.6347 NPC204141
Remote Similarity 0.6347 NPC285731
Remote Similarity 0.6341 NPC104483
Remote Similarity 0.6329 NPC89490
Remote Similarity 0.6324 NPC135601
Remote Similarity 0.6324 NPC141612
Remote Similarity 0.6324 NPC17273
Remote Similarity 0.6319 NPC125746
Remote Similarity 0.631 NPC478186
Remote Similarity 0.6306 NPC169625
Remote Similarity 0.6306 NPC202957
Remote Similarity 0.6291 NPC476566
Remote Similarity 0.6289 NPC475090
Remote Similarity 0.6289 NPC329896
Remote Similarity 0.6289 NPC475105
Remote Similarity 0.6271 NPC49217
Remote Similarity 0.625 NPC478182
Remote Similarity 0.625 NPC207428
Remote Similarity 0.6222 NPC208060
Remote Similarity 0.6221 NPC200214
Remote Similarity 0.622 NPC315822
Remote Similarity 0.622 NPC150259
Remote Similarity 0.6211 NPC101165
Remote Similarity 0.6209 NPC14325
Remote Similarity 0.6209 NPC28848
Remote Similarity 0.6209 NPC91958
Remote Similarity 0.6205 NPC59084
Remote Similarity 0.6201 NPC65080
Remote Similarity 0.6196 NPC198988
Remote Similarity 0.6193 NPC242116
Remote Similarity 0.618 NPC114637
Remote Similarity 0.6178 NPC27740
Remote Similarity 0.6176 NPC470111
Remote Similarity 0.6171 NPC300238
Remote Similarity 0.6171 NPC293487
Remote Similarity 0.617 NPC472289
Remote Similarity 0.6168 NPC473868
Remote Similarity 0.6168 NPC63157
Remote Similarity 0.6164 NPC471311
Remote Similarity 0.6164 NPC471313
Remote Similarity 0.6162 NPC243850
Remote Similarity 0.6158 NPC478184
Remote Similarity 0.6154 NPC314372
Remote Similarity 0.6154 NPC41174
Remote Similarity 0.6149 NPC22079
Remote Similarity 0.6149 NPC51054
Remote Similarity 0.6145 NPC110126
Remote Similarity 0.6145 NPC73767
Remote Similarity 0.6144 NPC240136
Remote Similarity 0.6144 NPC81561
Remote Similarity 0.6144 NPC471402
Remote Similarity 0.6144 NPC297486
Remote Similarity 0.614 NPC282531
Remote Similarity 0.6135 NPC300299
Remote Similarity 0.6133 NPC161861
Remote Similarity 0.6131 NPC190296
Remote Similarity 0.6122 NPC164802
Remote Similarity 0.6111 NPC164664
Remote Similarity 0.6108 NPC477891
Remote Similarity 0.6108 NPC2949
Remote Similarity 0.6107 NPC27802
Remote Similarity 0.6104 NPC143603
Remote Similarity 0.6102 NPC224632
Remote Similarity 0.6101 NPC75999
Remote Similarity 0.6092 NPC476219
Remote Similarity 0.6092 NPC476297
Remote Similarity 0.6089 NPC56233
Remote Similarity 0.608 NPC6436
Remote Similarity 0.6078 NPC148140
Remote Similarity 0.6076 NPC476322
Remote Similarity 0.6075 NPC471609
Remote Similarity 0.6067 NPC21174
Remote Similarity 0.6067 NPC271797
Remote Similarity 0.6061 NPC325252
Remote Similarity 0.6061 NPC218268
Remote Similarity 0.6054 NPC88110
Remote Similarity 0.6048 NPC88097
Remote Similarity 0.6043 NPC470003
Remote Similarity 0.6043 NPC165495
Remote Similarity 0.6043 NPC285923
Remote Similarity 0.6036 NPC42483
Remote Similarity 0.6036 NPC20144
Remote Similarity 0.6034 NPC41333
Remote Similarity 0.6033 NPC64436
Remote Similarity 0.6024 NPC84911
Remote Similarity 0.6024 NPC105127
Remote Similarity 0.6023 NPC143872
Remote Similarity 0.6023 NPC299594
Remote Similarity 0.6023 NPC236711
Remote Similarity 0.6022 NPC91895
Remote Similarity 0.6022 NPC144114
Remote Similarity 0.6013 NPC84268
Remote Similarity 0.6012 NPC24678
Remote Similarity 0.6012 NPC105818
Remote Similarity 0.6012 NPC469779
Remote Similarity 0.6012 NPC469784
Remote Similarity 0.6012 NPC469768
Remote Similarity 0.6012 NPC469780
Remote Similarity 0.6012 NPC469783
Remote Similarity 0.6012 NPC324611
Remote Similarity 0.6012 NPC469767
Remote Similarity 0.6012 NPC469761
Remote Similarity 0.6011 NPC225018
Remote Similarity 0.6011 NPC133003
Remote Similarity 0.6011 NPC478185
Remote Similarity 0.6011 NPC469529
Remote Similarity 0.6 NPC34300
Remote Similarity 0.6 NPC11126
Remote Similarity 0.6 NPC248462
Remote Similarity 0.6 NPC478183
Remote Similarity 0.6 NPC120070
Remote Similarity 0.599 NPC469308
Remote Similarity 0.5988 NPC21605
Remote Similarity 0.5988 NPC207554
Remote Similarity 0.5979 NPC311858
Remote Similarity 0.5977 NPC117032
Remote Similarity 0.5977 NPC472260
Remote Similarity 0.5976 NPC469766
Remote Similarity 0.597 NPC71238
Remote Similarity 0.5968 NPC91179
Remote Similarity 0.5965 NPC159856
Remote Similarity 0.5964 NPC29886
Remote Similarity 0.5964 NPC261195
Remote Similarity 0.5964 NPC96102
Remote Similarity 0.5959 NPC188821
Remote Similarity 0.5959 NPC474180
Remote Similarity 0.5955 NPC470204
Remote Similarity 0.5954 NPC37548
Remote Similarity 0.5954 NPC187951
Remote Similarity 0.5952 NPC2823
Remote Similarity 0.5949 NPC329825
Remote Similarity 0.5949 NPC328683
Remote Similarity 0.5949 NPC283130
Remote Similarity 0.5948 NPC288232
Remote Similarity 0.5943 NPC200743
Remote Similarity 0.5943 NPC73952
Remote Similarity 0.5943 NPC469763
Remote Similarity 0.5943 NPC259644
Remote Similarity 0.5943 NPC469786
Remote Similarity 0.5943 NPC469765
Remote Similarity 0.5943 NPC138842
Remote Similarity 0.5943 NPC469760
Remote Similarity 0.5943 NPC25008
Remote Similarity 0.5938 NPC473763
Remote Similarity 0.5938 NPC117244
Remote Similarity 0.5932 NPC129721
Remote Similarity 0.5928 NPC314102
Remote Similarity 0.5928 NPC251722
Remote Similarity 0.5928 NPC83214
Remote Similarity 0.5924 NPC469938
Remote Similarity 0.5924 NPC215519
Remote Similarity 0.5922 NPC470203
Remote Similarity 0.592 NPC40070
Remote Similarity 0.5918 NPC474389
Remote Similarity 0.5918 NPC143516
Remote Similarity 0.5917 NPC115611
Remote Similarity 0.5916 NPC230805
Remote Similarity 0.5915 NPC82295
Remote Similarity 0.5915 NPC256893
Remote Similarity 0.5915 NPC475450
Remote Similarity 0.5912 NPC46358
Remote Similarity 0.5909 NPC211572
Remote Similarity 0.5909 NPC80597
Remote Similarity 0.5909 NPC212376
Remote Similarity 0.5909 NPC70922
Remote Similarity 0.5909 NPC75540
Remote Similarity 0.5906 NPC242556
Remote Similarity 0.5906 NPC76540
Remote Similarity 0.5902 NPC282247
Remote Similarity 0.5902 NPC89562
Remote Similarity 0.5901 NPC250361
Remote Similarity 0.5897 NPC162689
Remote Similarity 0.5897 NPC54102

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  245.15
ALogP  0.2881
MLogP  2.56
XLogP  4.29
HDA  2
HBD  0
Rotatable Bonds  8
TPSA  42.16
RO5 Violation  0