Drug Information

Drug ID:  NPD201
Drug Name:  Cotinine
Molecular Formula:  C10H12N2O
Canonical SMILES:  O=C1CC[C@H](N1C)c1cccnc1
Standard InCHI:  InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
Standard InCHIKey:  UIKROCXWUNQSPJ-VIFPVBQESA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD201

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 NPC65408
High Similarity 0.8837 NPC265605
High Similarity 0.8837 NPC48564
High Similarity 0.8837 NPC182570
Intermediate Similarity 0.8358 NPC27740
Intermediate Similarity 0.8071 NPC324611
Intermediate Similarity 0.8065 NPC56233
Intermediate Similarity 0.7984 NPC27802
Intermediate Similarity 0.797 NPC471402
Intermediate Similarity 0.797 NPC297486
Intermediate Similarity 0.797 NPC240136
Intermediate Similarity 0.7949 NPC114637
Intermediate Similarity 0.7914 NPC471313
Intermediate Similarity 0.7914 NPC471311
Intermediate Similarity 0.7899 NPC166424
Intermediate Similarity 0.7899 NPC245244
Intermediate Similarity 0.7899 NPC146373
Intermediate Similarity 0.7883 NPC290094
Intermediate Similarity 0.7881 NPC472260
Intermediate Similarity 0.7815 NPC473878
Intermediate Similarity 0.7778 NPC91958
Intermediate Similarity 0.7778 NPC248462
Intermediate Similarity 0.7763 NPC470679
Intermediate Similarity 0.7763 NPC217021
Intermediate Similarity 0.7762 NPC322488
Intermediate Similarity 0.7752 NPC76540
Intermediate Similarity 0.773 NPC89490
Intermediate Similarity 0.7716 NPC64436
Intermediate Similarity 0.7714 NPC202957
Intermediate Similarity 0.7714 NPC169625
Intermediate Similarity 0.7702 NPC469529
Intermediate Similarity 0.7698 NPC476322
Intermediate Similarity 0.7676 NPC475105
Intermediate Similarity 0.7676 NPC475090
Intermediate Similarity 0.7676 NPC329896
Intermediate Similarity 0.7669 NPC11126
Intermediate Similarity 0.7647 NPC143603
Intermediate Similarity 0.7643 NPC194881
Intermediate Similarity 0.7639 NPC330326
Intermediate Similarity 0.7628 NPC293487
Intermediate Similarity 0.7595 NPC478182
Intermediate Similarity 0.7595 NPC478184
Intermediate Similarity 0.7569 NPC256893
Intermediate Similarity 0.7569 NPC471322
Intermediate Similarity 0.755 NPC470440
Intermediate Similarity 0.7532 NPC242116
Intermediate Similarity 0.7532 NPC70406
Intermediate Similarity 0.7516 NPC80681
Intermediate Similarity 0.75 NPC46358
Intermediate Similarity 0.7485 NPC228835
Intermediate Similarity 0.7484 NPC200214
Intermediate Similarity 0.7484 NPC265100
Intermediate Similarity 0.7483 NPC471589
Intermediate Similarity 0.7468 NPC470680
Intermediate Similarity 0.7468 NPC100104
Intermediate Similarity 0.7463 NPC235843
Intermediate Similarity 0.7451 NPC105811
Intermediate Similarity 0.7451 NPC100726
Intermediate Similarity 0.745 NPC110126
Intermediate Similarity 0.744 NPC308931
Intermediate Similarity 0.744 NPC99939
Intermediate Similarity 0.7434 NPC467188
Intermediate Similarity 0.7432 NPC471312
Intermediate Similarity 0.7432 NPC150259
Intermediate Similarity 0.7431 NPC476131
Intermediate Similarity 0.7429 NPC329825
Intermediate Similarity 0.7427 NPC117244
Intermediate Similarity 0.7427 NPC473763
Intermediate Similarity 0.7421 NPC478185
Intermediate Similarity 0.7417 NPC190296
Intermediate Similarity 0.741 NPC73994
Intermediate Similarity 0.7407 NPC91895
Intermediate Similarity 0.74 NPC238499
Intermediate Similarity 0.7394 NPC83774
Intermediate Similarity 0.7391 NPC478183
Intermediate Similarity 0.7381 NPC477003
Intermediate Similarity 0.7379 NPC282398
Intermediate Similarity 0.7379 NPC69914
Intermediate Similarity 0.7372 NPC251391
Intermediate Similarity 0.7355 NPC40070
Intermediate Similarity 0.7355 NPC313889
Intermediate Similarity 0.7351 NPC476454
Intermediate Similarity 0.7348 NPC231655
Intermediate Similarity 0.7333 NPC73767
Intermediate Similarity 0.7329 NPC101165
Intermediate Similarity 0.732 NPC285731
Intermediate Similarity 0.732 NPC314372
Intermediate Similarity 0.7317 NPC161861
Intermediate Similarity 0.7315 NPC314102
Intermediate Similarity 0.7315 NPC84911
Intermediate Similarity 0.7315 NPC251722
Intermediate Similarity 0.7315 NPC105127
Intermediate Similarity 0.7305 NPC61011
Intermediate Similarity 0.7301 NPC32534
Intermediate Similarity 0.7296 NPC474492
Intermediate Similarity 0.7292 NPC212125
Intermediate Similarity 0.7289 NPC145885
Intermediate Similarity 0.7289 NPC14113
Intermediate Similarity 0.7289 NPC84827
Intermediate Similarity 0.7287 NPC83987
Intermediate Similarity 0.7267 NPC21174
Intermediate Similarity 0.7267 NPC271797
Intermediate Similarity 0.7251 NPC17059
Intermediate Similarity 0.7248 NPC261195
Intermediate Similarity 0.7248 NPC96102
Intermediate Similarity 0.7248 NPC29886
Intermediate Similarity 0.7246 NPC476566
Intermediate Similarity 0.7241 NPC313823
Intermediate Similarity 0.7233 NPC129721
Intermediate Similarity 0.7229 NPC267885
Intermediate Similarity 0.7226 NPC470111
Intermediate Similarity 0.7226 NPC477974
Intermediate Similarity 0.7222 NPC233380
Intermediate Similarity 0.7222 NPC42372
Intermediate Similarity 0.7219 NPC316811
Intermediate Similarity 0.7219 NPC315348
Intermediate Similarity 0.7219 NPC32002
Intermediate Similarity 0.7211 NPC82295
Intermediate Similarity 0.7208 NPC159856
Intermediate Similarity 0.7193 NPC94752
Intermediate Similarity 0.7186 NPC157583
Intermediate Similarity 0.7179 NPC123906
Intermediate Similarity 0.7178 NPC41717
Intermediate Similarity 0.7176 NPC46895
Intermediate Similarity 0.7171 NPC469779
Intermediate Similarity 0.7171 NPC469784
Intermediate Similarity 0.7171 NPC469780
Intermediate Similarity 0.7171 NPC469761
Intermediate Similarity 0.7171 NPC469783
Intermediate Similarity 0.7171 NPC469768
Intermediate Similarity 0.7171 NPC469767
Intermediate Similarity 0.7169 NPC110500
Intermediate Similarity 0.7169 NPC469938
Intermediate Similarity 0.7169 NPC293216
Intermediate Similarity 0.7169 NPC203468
Intermediate Similarity 0.7169 NPC149155
Intermediate Similarity 0.716 NPC191415
Intermediate Similarity 0.7152 NPC281094
Intermediate Similarity 0.7143 NPC126709
Intermediate Similarity 0.7143 NPC248041
Intermediate Similarity 0.7143 NPC315320
Intermediate Similarity 0.7143 NPC12649
Intermediate Similarity 0.7134 NPC70949
Intermediate Similarity 0.7134 NPC471655
Intermediate Similarity 0.7134 NPC24678
Intermediate Similarity 0.7134 NPC78020
Intermediate Similarity 0.7134 NPC105818
Intermediate Similarity 0.7133 NPC29702
Intermediate Similarity 0.7124 NPC469766
Intermediate Similarity 0.7115 NPC179787
Intermediate Similarity 0.7115 NPC471957
Intermediate Similarity 0.7115 NPC201380
Intermediate Similarity 0.7107 NPC209362
Intermediate Similarity 0.7107 NPC229055
Intermediate Similarity 0.7105 NPC104483
Intermediate Similarity 0.7101 NPC24864
Intermediate Similarity 0.7089 NPC470233
Intermediate Similarity 0.7086 NPC114310
Intermediate Similarity 0.7086 NPC472288
Intermediate Similarity 0.7083 NPC237188
Intermediate Similarity 0.7075 NPC71236
Intermediate Similarity 0.707 NPC321911
Intermediate Similarity 0.707 NPC102664
Intermediate Similarity 0.7063 NPC74357
Intermediate Similarity 0.7063 NPC51054
Intermediate Similarity 0.7059 NPC279081
Intermediate Similarity 0.7055 NPC306397
Intermediate Similarity 0.7051 NPC478186
Intermediate Similarity 0.7051 NPC63545
Intermediate Similarity 0.7044 NPC469760
Intermediate Similarity 0.7044 NPC469763
Intermediate Similarity 0.7044 NPC73952
Intermediate Similarity 0.7044 NPC469765
Intermediate Similarity 0.7044 NPC259644
Intermediate Similarity 0.7044 NPC469786
Intermediate Similarity 0.7044 NPC25008
Intermediate Similarity 0.7041 NPC283219
Intermediate Similarity 0.7032 NPC159630
Intermediate Similarity 0.7032 NPC471323
Intermediate Similarity 0.7032 NPC230085
Intermediate Similarity 0.7029 NPC476460
Intermediate Similarity 0.7019 NPC213914
Intermediate Similarity 0.7018 NPC102755
Intermediate Similarity 0.7018 NPC470205
Intermediate Similarity 0.7013 NPC277157
Intermediate Similarity 0.7011 NPC213629
Intermediate Similarity 0.7006 NPC294693
Intermediate Similarity 0.7006 NPC469811
Intermediate Similarity 0.7006 NPC477976
Intermediate Similarity 0.7 NPC70922
Intermediate Similarity 0.7 NPC75540
Intermediate Similarity 0.7 NPC211572
Intermediate Similarity 0.7 NPC212376
Intermediate Similarity 0.7 NPC80597
Remote Similarity 0.6994 NPC62749
Remote Similarity 0.6989 NPC471386
Remote Similarity 0.6988 NPC116961
Remote Similarity 0.6987 NPC86288
Remote Similarity 0.6982 NPC111275
Remote Similarity 0.6982 NPC240088

Drug Structure

External Identifiers

TTD   DNAP001675
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   854019
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  176.09
ALogP  -0.8361
MLogP  2.23
XLogP  0.746
HDA  3
HBD  0
Rotatable Bonds  2
TPSA  33.2
RO5 Violation  0