Drug Information

Drug ID:  NPD2143
Drug Name:  deriglidole
Molecular Formula:  C16H21N3
Canonical SMILES:  CCCC1(Cc2c3N1CCc3ccc2)C1=NCCN1
Standard InCHI:  InChI=1S/C16H21N3/c1-2-7-16(15-17-8-9-18-15)11-13-5-3-4-12-6-10-19(16)14(12)13/h3-5H,2,6-11H2,1H3,(H,17,18)
Standard InCHIKey:  BADQRNHAZHSOKC-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2143

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 0.7857 NPC313673
Intermediate Similarity 0.7778 NPC288232
Intermediate Similarity 0.75 NPC164802
Intermediate Similarity 0.7481 NPC145754
Intermediate Similarity 0.7385 NPC192209
Intermediate Similarity 0.7293 NPC475915
Intermediate Similarity 0.7288 NPC7067
Intermediate Similarity 0.7209 NPC296163
Intermediate Similarity 0.7209 NPC187036
Intermediate Similarity 0.7143 NPC469330
Intermediate Similarity 0.7133 NPC206592
Intermediate Similarity 0.7077 NPC314141
Intermediate Similarity 0.7068 NPC264580
Remote Similarity 0.696 NPC474430
Remote Similarity 0.6879 NPC9856
Remote Similarity 0.6867 NPC204141
Remote Similarity 0.6866 NPC313449
Remote Similarity 0.6828 NPC198988
Remote Similarity 0.6822 NPC302790
Remote Similarity 0.6781 NPC325252
Remote Similarity 0.6781 NPC218268
Remote Similarity 0.6772 NPC469974
Remote Similarity 0.6755 NPC469735
Remote Similarity 0.6748 NPC471319
Remote Similarity 0.6748 NPC471320
Remote Similarity 0.6738 NPC476950
Remote Similarity 0.6711 NPC469740
Remote Similarity 0.6709 NPC68650
Remote Similarity 0.6691 NPC328683
Remote Similarity 0.6691 NPC283130
Remote Similarity 0.6667 NPC252794
Remote Similarity 0.6646 NPC475990
Remote Similarity 0.6646 NPC474880
Remote Similarity 0.6646 NPC221786
Remote Similarity 0.6644 NPC88097
Remote Similarity 0.6644 NPC73767
Remote Similarity 0.6622 NPC125746
Remote Similarity 0.6621 NPC475450
Remote Similarity 0.662 NPC478079
Remote Similarity 0.6614 NPC291610
Remote Similarity 0.66 NPC469761
Remote Similarity 0.66 NPC469768
Remote Similarity 0.66 NPC469780
Remote Similarity 0.66 NPC469784
Remote Similarity 0.66 NPC469783
Remote Similarity 0.66 NPC2949
Remote Similarity 0.66 NPC469779
Remote Similarity 0.66 NPC469767
Remote Similarity 0.66 NPC59084
Remote Similarity 0.6587 NPC16659
Remote Similarity 0.6582 NPC222029
Remote Similarity 0.6581 NPC53947
Remote Similarity 0.6561 NPC476297
Remote Similarity 0.6561 NPC476219
Remote Similarity 0.6556 NPC63157
Remote Similarity 0.6556 NPC469766
Remote Similarity 0.6556 NPC473868
Remote Similarity 0.6552 NPC22079
Remote Similarity 0.6543 NPC49217
Remote Similarity 0.6536 NPC264589
Remote Similarity 0.6533 NPC110126
Remote Similarity 0.6527 NPC265710
Remote Similarity 0.651 NPC84911
Remote Similarity 0.65 NPC229173
Remote Similarity 0.6497 NPC295021
Remote Similarity 0.6494 NPC288838
Remote Similarity 0.649 NPC115611
Remote Similarity 0.6483 NPC473587
Remote Similarity 0.6463 NPC316104
Remote Similarity 0.6463 NPC162417
Remote Similarity 0.646 NPC470203
Remote Similarity 0.6454 NPC41174
Remote Similarity 0.6452 NPC21605
Remote Similarity 0.6452 NPC109787
Remote Similarity 0.6446 NPC111233
Remote Similarity 0.6443 NPC96102
Remote Similarity 0.6443 NPC29886
Remote Similarity 0.6443 NPC261195
Remote Similarity 0.6438 NPC476685
Remote Similarity 0.6438 NPC276085
Remote Similarity 0.6438 NPC476687
Remote Similarity 0.6438 NPC476689
Remote Similarity 0.6438 NPC475428
Remote Similarity 0.6429 NPC470440
Remote Similarity 0.6424 NPC2823
Remote Similarity 0.6419 NPC300299
Remote Similarity 0.6414 NPC226662
Remote Similarity 0.6414 NPC473762
Remote Similarity 0.6405 NPC472103
Remote Similarity 0.6405 NPC136002
Remote Similarity 0.64 NPC108339
Remote Similarity 0.64 NPC105127
Remote Similarity 0.6398 NPC470204
Remote Similarity 0.6395 NPC179365
Remote Similarity 0.6387 NPC143872
Remote Similarity 0.6378 NPC317642
Remote Similarity 0.6377 NPC476566
Remote Similarity 0.6376 NPC267508
Remote Similarity 0.6376 NPC471123
Remote Similarity 0.6375 NPC216643
Remote Similarity 0.6369 NPC240088
Remote Similarity 0.6369 NPC473380
Remote Similarity 0.6369 NPC33421
Remote Similarity 0.6364 NPC474897
Remote Similarity 0.6364 NPC79618
Remote Similarity 0.6358 NPC130251
Remote Similarity 0.6351 NPC473930
Remote Similarity 0.6331 NPC228515
Remote Similarity 0.6327 NPC207428
Remote Similarity 0.6323 NPC314372
Remote Similarity 0.6319 NPC247987
Remote Similarity 0.6319 NPC476118
Remote Similarity 0.6316 NPC301760
Remote Similarity 0.6316 NPC471164
Remote Similarity 0.6306 NPC2272
Remote Similarity 0.6306 NPC321911
Remote Similarity 0.6303 NPC134825
Remote Similarity 0.6299 NPC190296
Remote Similarity 0.6299 NPC20144
Remote Similarity 0.6291 NPC150259
Remote Similarity 0.6291 NPC469560
Remote Similarity 0.6291 NPC83214
Remote Similarity 0.6284 NPC82295
Remote Similarity 0.6279 NPC472294
Remote Similarity 0.6276 NPC250361
Remote Similarity 0.6275 NPC279081
Remote Similarity 0.6266 NPC475763
Remote Similarity 0.6266 NPC24678
Remote Similarity 0.6266 NPC105818
Remote Similarity 0.625 NPC169016
Remote Similarity 0.625 NPC243162
Remote Similarity 0.625 NPC27740
Remote Similarity 0.6242 NPC179787
Remote Similarity 0.6242 NPC469811
Remote Similarity 0.6242 NPC184437
Remote Similarity 0.6242 NPC201380
Remote Similarity 0.6241 NPC316582
Remote Similarity 0.6235 NPC56765
Remote Similarity 0.6235 NPC318065
Remote Similarity 0.6235 NPC206819
Remote Similarity 0.6235 NPC135141
Remote Similarity 0.6235 NPC92796
Remote Similarity 0.6233 NPC209389
Remote Similarity 0.622 NPC317105
Remote Similarity 0.622 NPC90723
Remote Similarity 0.6209 NPC104483
Remote Similarity 0.6209 NPC471574
Remote Similarity 0.6203 NPC187951
Remote Similarity 0.6196 NPC122141
Remote Similarity 0.6194 NPC311330
Remote Similarity 0.619 NPC161861
Remote Similarity 0.619 NPC322040
Remote Similarity 0.6188 NPC325903
Remote Similarity 0.6188 NPC73952
Remote Similarity 0.6188 NPC200214
Remote Similarity 0.6188 NPC25008
Remote Similarity 0.6188 NPC469786
Remote Similarity 0.6188 NPC469765
Remote Similarity 0.6188 NPC259644
Remote Similarity 0.6188 NPC469760
Remote Similarity 0.6188 NPC469763
Remote Similarity 0.6178 NPC63545
Remote Similarity 0.6174 NPC471322
Remote Similarity 0.6173 NPC286427
Remote Similarity 0.6173 NPC469428
Remote Similarity 0.6169 NPC230002
Remote Similarity 0.6164 NPC66936
Remote Similarity 0.6159 NPC325599
Remote Similarity 0.6154 NPC12857
Remote Similarity 0.6149 NPC80597
Remote Similarity 0.6149 NPC212376
Remote Similarity 0.6149 NPC211572
Remote Similarity 0.6149 NPC75540
Remote Similarity 0.6149 NPC477815
Remote Similarity 0.6149 NPC38736
Remote Similarity 0.6149 NPC307396
Remote Similarity 0.6149 NPC70922
Remote Similarity 0.6144 NPC207554
Remote Similarity 0.6142 NPC329430
Remote Similarity 0.6139 NPC114209
Remote Similarity 0.6139 NPC471957
Remote Similarity 0.6135 NPC41257
Remote Similarity 0.6134 NPC231986
Remote Similarity 0.6129 NPC476454
Remote Similarity 0.6121 NPC271797
Remote Similarity 0.6121 NPC21174
Remote Similarity 0.6119 NPC434
Remote Similarity 0.6118 NPC280852
Remote Similarity 0.6115 NPC159856
Remote Similarity 0.6107 NPC53044
Remote Similarity 0.6104 NPC312092
Remote Similarity 0.6101 NPC37548
Remote Similarity 0.6101 NPC473329
Remote Similarity 0.6101 NPC124005
Remote Similarity 0.6101 NPC318086
Remote Similarity 0.6099 NPC81561
Remote Similarity 0.6099 NPC106118
Remote Similarity 0.6098 NPC262295
Remote Similarity 0.6095 NPC242269
Remote Similarity 0.6087 NPC232798

Drug Structure

External Identifiers

TTD   DIB006118
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  255.17
ALogP  -0.342
MLogP  2.89
XLogP  2.852
HDA  3
HBD  1
Rotatable Bonds  4
TPSA  27.63
RO5 Violation  0