Drug Information

Drug ID:  NPD268
Drug Name:  Nicotine Bitartrate
Molecular Formula:  C10H14N2.C4H6O6
Canonical SMILES:  OC(C(C(=O)O)O)C(=O)O.CN1CCC[C@H]1c1cccnc1
Standard InCHI:  InChI=1S/C10H14N2.C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-;/m0./s1
Standard InCHIKey:  QLDPCHZQQIASHX-PPHPATTJSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD268

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 1.0 NPC182570
High Similarity 1.0 NPC48564
High Similarity 1.0 NPC265605
High Similarity 0.9412 NPC27740
High Similarity 0.9035 NPC27802
High Similarity 0.8983 NPC297486
High Similarity 0.8983 NPC471402
High Similarity 0.8983 NPC240136
High Similarity 0.8862 NPC245244
High Similarity 0.8862 NPC166424
High Similarity 0.8862 NPC146373
High Similarity 0.8837 NPC65408
High Similarity 0.8772 NPC76540
High Similarity 0.875 NPC91958
High Similarity 0.8699 NPC290094
High Similarity 0.8629 NPC476322
High Similarity 0.8595 NPC143603
High Similarity 0.8594 NPC324611
Intermediate Similarity 0.8492 NPC169625
Intermediate Similarity 0.8492 NPC202957
Intermediate Similarity 0.8425 NPC471311
Intermediate Similarity 0.8425 NPC471313
Intermediate Similarity 0.8403 NPC235843
Intermediate Similarity 0.84 NPC46358
Intermediate Similarity 0.8359 NPC89490
Intermediate Similarity 0.832 NPC329825
Intermediate Similarity 0.8295 NPC475090
Intermediate Similarity 0.8295 NPC475105
Intermediate Similarity 0.8295 NPC329896
Intermediate Similarity 0.8295 NPC476131
Intermediate Similarity 0.8291 NPC231655
Intermediate Similarity 0.8284 NPC110126
Intermediate Similarity 0.8271 NPC150259
Intermediate Similarity 0.8246 NPC83987
Intermediate Similarity 0.8231 NPC282398
Intermediate Similarity 0.8231 NPC69914
Intermediate Similarity 0.8168 NPC101165
Intermediate Similarity 0.8168 NPC471322
Intermediate Similarity 0.8162 NPC476454
Intermediate Similarity 0.8148 NPC73767
Intermediate Similarity 0.8143 NPC40070
Intermediate Similarity 0.8134 NPC84911
Intermediate Similarity 0.8134 NPC105127
Intermediate Similarity 0.8134 NPC251722
Intermediate Similarity 0.8134 NPC314102
Intermediate Similarity 0.813 NPC476566
Intermediate Similarity 0.806 NPC29886
Intermediate Similarity 0.806 NPC261195
Intermediate Similarity 0.806 NPC96102
Intermediate Similarity 0.803 NPC256893
Intermediate Similarity 0.803 NPC82295
Intermediate Similarity 0.8015 NPC32002
Intermediate Similarity 0.8015 NPC316811
Intermediate Similarity 0.8015 NPC315348
Intermediate Similarity 0.7956 NPC469761
Intermediate Similarity 0.7956 NPC469784
Intermediate Similarity 0.7956 NPC469767
Intermediate Similarity 0.7956 NPC469779
Intermediate Similarity 0.7956 NPC469768
Intermediate Similarity 0.7956 NPC469783
Intermediate Similarity 0.7956 NPC469780
Intermediate Similarity 0.7899 NPC469766
Intermediate Similarity 0.7872 NPC470111
Intermediate Similarity 0.7872 NPC201380
Intermediate Similarity 0.7872 NPC179787
Intermediate Similarity 0.7868 NPC471312
Intermediate Similarity 0.7857 NPC285731
Intermediate Similarity 0.7842 NPC190296
Intermediate Similarity 0.7832 NPC470233
Intermediate Similarity 0.7826 NPC279081
Intermediate Similarity 0.7817 NPC321911
Intermediate Similarity 0.7801 NPC63545
Intermediate Similarity 0.7746 NPC469811
Intermediate Similarity 0.773 NPC86288
Intermediate Similarity 0.773 NPC314372
Intermediate Similarity 0.7727 NPC212125
Intermediate Similarity 0.7721 NPC198988
Intermediate Similarity 0.7714 NPC20144
Intermediate Similarity 0.7698 NPC148140
Intermediate Similarity 0.7698 NPC230002
Intermediate Similarity 0.7687 NPC56765
Intermediate Similarity 0.7681 NPC169433
Intermediate Similarity 0.7664 NPC325252
Intermediate Similarity 0.7643 NPC473868
Intermediate Similarity 0.7643 NPC63157
Intermediate Similarity 0.7638 NPC81561
Intermediate Similarity 0.7626 NPC104483
Intermediate Similarity 0.7622 NPC471957
Intermediate Similarity 0.7619 NPC129721
Intermediate Similarity 0.7607 NPC213774
Intermediate Similarity 0.7606 NPC159856
Intermediate Similarity 0.76 NPC473901
Intermediate Similarity 0.7571 NPC59084
Intermediate Similarity 0.7568 NPC477591
Intermediate Similarity 0.7556 NPC315320
Intermediate Similarity 0.7552 NPC288838
Intermediate Similarity 0.7552 NPC143872
Intermediate Similarity 0.7551 NPC476464
Intermediate Similarity 0.7551 NPC51054
Intermediate Similarity 0.7534 NPC200214
Intermediate Similarity 0.7534 NPC325903
Intermediate Similarity 0.7517 NPC24678
Intermediate Similarity 0.7517 NPC53947
Intermediate Similarity 0.7517 NPC105818
Intermediate Similarity 0.75 NPC88097
Intermediate Similarity 0.75 NPC236711
Intermediate Similarity 0.7483 NPC34844
Intermediate Similarity 0.7481 NPC41174
Intermediate Similarity 0.748 NPC84268
Intermediate Similarity 0.7466 NPC470823
Intermediate Similarity 0.7463 NPC306397
Intermediate Similarity 0.7462 NPC215519
Intermediate Similarity 0.745 NPC206819
Intermediate Similarity 0.745 NPC293487
Intermediate Similarity 0.745 NPC318065
Intermediate Similarity 0.7447 NPC2949
Intermediate Similarity 0.7442 NPC162689
Intermediate Similarity 0.7442 NPC54102
Intermediate Similarity 0.7426 NPC22079
Intermediate Similarity 0.7417 NPC478184
Intermediate Similarity 0.7417 NPC90723
Intermediate Similarity 0.7417 NPC478182
Intermediate Similarity 0.7415 NPC469763
Intermediate Similarity 0.7415 NPC141926
Intermediate Similarity 0.7415 NPC25008
Intermediate Similarity 0.7415 NPC73952
Intermediate Similarity 0.7415 NPC469765
Intermediate Similarity 0.7415 NPC138842
Intermediate Similarity 0.7415 NPC469786
Intermediate Similarity 0.7415 NPC259644
Intermediate Similarity 0.7415 NPC469760
Intermediate Similarity 0.7413 NPC471323
Intermediate Similarity 0.74 NPC215584
Intermediate Similarity 0.74 NPC44773
Intermediate Similarity 0.7397 NPC473878
Intermediate Similarity 0.7379 NPC477974
Intermediate Similarity 0.7379 NPC21605
Intermediate Similarity 0.7365 NPC75540
Intermediate Similarity 0.7365 NPC211572
Intermediate Similarity 0.7365 NPC80597
Intermediate Similarity 0.7365 NPC212376
Intermediate Similarity 0.7365 NPC70922
Intermediate Similarity 0.7347 NPC216713
Intermediate Similarity 0.7333 NPC41257
Intermediate Similarity 0.7333 NPC165370
Intermediate Similarity 0.7324 NPC115611
Intermediate Similarity 0.7319 NPC322488
Intermediate Similarity 0.731 NPC316069
Intermediate Similarity 0.7303 NPC317105
Intermediate Similarity 0.729 NPC82331
Intermediate Similarity 0.7286 NPC218268
Intermediate Similarity 0.7286 NPC29702
Intermediate Similarity 0.7285 NPC122141
Intermediate Similarity 0.7285 NPC470204
Intermediate Similarity 0.7279 NPC471589
Intermediate Similarity 0.7267 NPC286427
Intermediate Similarity 0.7267 NPC469897
Intermediate Similarity 0.7252 NPC11863
Intermediate Similarity 0.7241 NPC467188
Intermediate Similarity 0.7241 NPC470440
Intermediate Similarity 0.7239 NPC122718
Intermediate Similarity 0.7237 NPC59779
Intermediate Similarity 0.7237 NPC470203
Intermediate Similarity 0.7237 NPC124542
Intermediate Similarity 0.7237 NPC478185
Intermediate Similarity 0.7237 NPC282231
Intermediate Similarity 0.7237 NPC471177
Intermediate Similarity 0.7237 NPC225018
Intermediate Similarity 0.7234 NPC125746
Intermediate Similarity 0.723 NPC470679
Intermediate Similarity 0.723 NPC472260
Intermediate Similarity 0.723 NPC217021
Intermediate Similarity 0.7226 NPC91895
Intermediate Similarity 0.7218 NPC56856
Intermediate Similarity 0.7208 NPC98187
Intermediate Similarity 0.7208 NPC56233
Intermediate Similarity 0.7208 NPC478183
Intermediate Similarity 0.72 NPC469785
Intermediate Similarity 0.7194 NPC330326
Intermediate Similarity 0.719 NPC476446
Intermediate Similarity 0.719 NPC78375
Intermediate Similarity 0.719 NPC469813
Intermediate Similarity 0.7171 NPC279918
Intermediate Similarity 0.7162 NPC33421
Intermediate Similarity 0.7152 NPC474958
Intermediate Similarity 0.7152 NPC216643
Intermediate Similarity 0.7152 NPC469762
Intermediate Similarity 0.7152 NPC280852
Intermediate Similarity 0.7143 NPC100726
Intermediate Similarity 0.7143 NPC105811
Intermediate Similarity 0.7143 NPC274229
Intermediate Similarity 0.7133 NPC476219
Intermediate Similarity 0.7133 NPC476297
Intermediate Similarity 0.7133 NPC477815
Intermediate Similarity 0.7132 NPC250361
Intermediate Similarity 0.7132 NPC135488
Intermediate Similarity 0.7132 NPC476140
Intermediate Similarity 0.7123 NPC204141
Intermediate Similarity 0.7123 NPC469525
Intermediate Similarity 0.7115 NPC32534

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  162.12
ALogP  -0.4993
MLogP  2.34
XLogP  1.485
HDA  2
HBD  0
Rotatable Bonds  2
TPSA  16.13
RO5 Violation  0