Drug Information

Drug ID:  NPD1050
Drug Name:  Moclobemide
Molecular Formula:  C13H17ClN2O2
Canonical SMILES:  O=C(c1ccc(cc1)Cl)NCCN1CCOCC1
Standard InCHI:  InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
Standard InCHIKey:  YHXISWVBGDMDLQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1050

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 0.7252 NPC113099
Remote Similarity 0.6879 NPC322433
Remote Similarity 0.6774 NPC256452
Remote Similarity 0.675 NPC305602
Remote Similarity 0.675 NPC17497
Remote Similarity 0.6718 NPC55529
Remote Similarity 0.6692 NPC473418
Remote Similarity 0.6691 NPC27833
Remote Similarity 0.669 NPC126458
Remote Similarity 0.6667 NPC316104
Remote Similarity 0.6667 NPC162417
Remote Similarity 0.6439 NPC167336
Remote Similarity 0.6429 NPC474974
Remote Similarity 0.6405 NPC471164
Remote Similarity 0.6345 NPC79698
Remote Similarity 0.6338 NPC302169
Remote Similarity 0.6324 NPC313981
Remote Similarity 0.6316 NPC316906
Remote Similarity 0.6303 NPC113056
Remote Similarity 0.6303 NPC138293
Remote Similarity 0.6299 NPC291070
Remote Similarity 0.6299 NPC246757
Remote Similarity 0.6294 NPC71684
Remote Similarity 0.6275 NPC319645
Remote Similarity 0.6259 NPC471318
Remote Similarity 0.6225 NPC266425
Remote Similarity 0.6224 NPC316582
Remote Similarity 0.6176 NPC77294
Remote Similarity 0.6174 NPC179224
Remote Similarity 0.6172 NPC71140
Remote Similarity 0.617 NPC315276
Remote Similarity 0.617 NPC239357
Remote Similarity 0.617 NPC14672
Remote Similarity 0.617 NPC285926
Remote Similarity 0.6169 NPC238412
Remote Similarity 0.6159 NPC181390
Remote Similarity 0.6139 NPC313850
Remote Similarity 0.6138 NPC26285
Remote Similarity 0.6131 NPC158854
Remote Similarity 0.6129 NPC258046
Remote Similarity 0.6118 NPC474473
Remote Similarity 0.6098 NPC169016
Remote Similarity 0.6096 NPC175726
Remote Similarity 0.6096 NPC474082
Remote Similarity 0.6094 NPC473661
Remote Similarity 0.6093 NPC473962
Remote Similarity 0.6084 NPC220698
Remote Similarity 0.6081 NPC136453
Remote Similarity 0.6074 NPC476198
Remote Similarity 0.6071 NPC57051
Remote Similarity 0.6069 NPC314192
Remote Similarity 0.6054 NPC22746
Remote Similarity 0.6049 NPC314223
Remote Similarity 0.604 NPC71933
Remote Similarity 0.604 NPC105114
Remote Similarity 0.604 NPC89923
Remote Similarity 0.604 NPC152850
Remote Similarity 0.604 NPC239990
Remote Similarity 0.6029 NPC471447
Remote Similarity 0.6029 NPC45033
Remote Similarity 0.6028 NPC33742
Remote Similarity 0.6027 NPC268534
Remote Similarity 0.6013 NPC313352
Remote Similarity 0.6 NPC179605
Remote Similarity 0.6 NPC279385
Remote Similarity 0.6 NPC122553
Remote Similarity 0.6 NPC471649
Remote Similarity 0.6 NPC84317
Remote Similarity 0.6 NPC324445
Remote Similarity 0.5988 NPC473329
Remote Similarity 0.5988 NPC73644
Remote Similarity 0.5987 NPC40364
Remote Similarity 0.5987 NPC207428
Remote Similarity 0.5986 NPC254698
Remote Similarity 0.5986 NPC101139
Remote Similarity 0.5959 NPC103292
Remote Similarity 0.5957 NPC276949
Remote Similarity 0.5957 NPC35850
Remote Similarity 0.5956 NPC67043
Remote Similarity 0.5946 NPC222466
Remote Similarity 0.5943 NPC475094
Remote Similarity 0.5931 NPC177684
Remote Similarity 0.5931 NPC291962
Remote Similarity 0.5931 NPC226143
Remote Similarity 0.5928 NPC154478
Remote Similarity 0.5924 NPC469427
Remote Similarity 0.5924 NPC469426
Remote Similarity 0.5921 NPC157311
Remote Similarity 0.5917 NPC189116
Remote Similarity 0.5915 NPC117032
Remote Similarity 0.5912 NPC201244
Remote Similarity 0.5912 NPC473498
Remote Similarity 0.5912 NPC477217
Remote Similarity 0.5906 NPC101719
Remote Similarity 0.5903 NPC470545
Remote Similarity 0.5899 NPC24777
Remote Similarity 0.5897 NPC132636
Remote Similarity 0.5894 NPC165726
Remote Similarity 0.5894 NPC213969
Remote Similarity 0.5894 NPC111428
Remote Similarity 0.5894 NPC469666
Remote Similarity 0.589 NPC200964
Remote Similarity 0.589 NPC258531
Remote Similarity 0.589 NPC112373
Remote Similarity 0.589 NPC161956
Remote Similarity 0.5886 NPC470301
Remote Similarity 0.5882 NPC8761
Remote Similarity 0.5882 NPC38262
Remote Similarity 0.5882 NPC275467
Remote Similarity 0.5882 NPC44805
Remote Similarity 0.5878 NPC329430
Remote Similarity 0.5876 NPC197335
Remote Similarity 0.5868 NPC12857
Remote Similarity 0.5865 NPC322598
Remote Similarity 0.5862 NPC228515
Remote Similarity 0.5862 NPC320656
Remote Similarity 0.5862 NPC470546
Remote Similarity 0.586 NPC239762
Remote Similarity 0.586 NPC163392
Remote Similarity 0.5854 NPC473341
Remote Similarity 0.5852 NPC182057
Remote Similarity 0.5852 NPC147298
Remote Similarity 0.5852 NPC131450
Remote Similarity 0.5848 NPC214960
Remote Similarity 0.5848 NPC279527
Remote Similarity 0.5848 NPC182131
Remote Similarity 0.5843 NPC314659
Remote Similarity 0.5839 NPC192533
Remote Similarity 0.5839 NPC285394
Remote Similarity 0.5839 NPC135121
Remote Similarity 0.5833 NPC470544
Remote Similarity 0.5833 NPC325599
Remote Similarity 0.5814 NPC66490
Remote Similarity 0.5809 NPC471310
Remote Similarity 0.5805 NPC285622
Remote Similarity 0.5805 NPC177261
Remote Similarity 0.5796 NPC98424
Remote Similarity 0.5796 NPC92784
Remote Similarity 0.5796 NPC476133
Remote Similarity 0.5796 NPC178662
Remote Similarity 0.5796 NPC470884
Remote Similarity 0.5795 NPC14849
Remote Similarity 0.5789 NPC209389
Remote Similarity 0.5786 NPC2823
Remote Similarity 0.5786 NPC161069
Remote Similarity 0.5786 NPC43477
Remote Similarity 0.5774 NPC62104
Remote Similarity 0.5774 NPC1390
Remote Similarity 0.5772 NPC6975
Remote Similarity 0.5771 NPC328611
Remote Similarity 0.5769 NPC173295
Remote Similarity 0.576 NPC104070
Remote Similarity 0.576 NPC149263
Remote Similarity 0.5759 NPC268841
Remote Similarity 0.5759 NPC469560
Remote Similarity 0.5759 NPC307357
Remote Similarity 0.5759 NPC46098
Remote Similarity 0.5758 NPC108339
Remote Similarity 0.5755 NPC172170
Remote Similarity 0.5752 NPC194562
Remote Similarity 0.5752 NPC472245
Remote Similarity 0.575 NPC52748
Remote Similarity 0.5746 NPC87391
Remote Similarity 0.5743 NPC257490
Remote Similarity 0.5735 NPC329375
Remote Similarity 0.5725 NPC143516
Remote Similarity 0.5723 NPC263493
Remote Similarity 0.5723 NPC471651
Remote Similarity 0.5723 NPC269398
Remote Similarity 0.5723 NPC473002
Remote Similarity 0.5714 NPC36836
Remote Similarity 0.5714 NPC209509
Remote Similarity 0.5714 NPC63370
Remote Similarity 0.5706 NPC309531
Remote Similarity 0.5706 NPC471821
Remote Similarity 0.5706 NPC472102
Remote Similarity 0.5706 NPC471647
Remote Similarity 0.5706 NPC471646
Remote Similarity 0.5706 NPC471820
Remote Similarity 0.5706 NPC246412
Remote Similarity 0.5705 NPC248283
Remote Similarity 0.5705 NPC141050
Remote Similarity 0.5702 NPC271642
Remote Similarity 0.5696 NPC287358
Remote Similarity 0.5695 NPC474847
Remote Similarity 0.569 NPC472118
Remote Similarity 0.5689 NPC469903
Remote Similarity 0.5687 NPC139326
Remote Similarity 0.5686 NPC473322
Remote Similarity 0.5683 NPC474973
Remote Similarity 0.5683 NPC474804
Remote Similarity 0.5683 NPC130898
Remote Similarity 0.5682 NPC322040
Remote Similarity 0.568 NPC222029
Remote Similarity 0.568 NPC477887
Remote Similarity 0.5679 NPC262077
Remote Similarity 0.5677 NPC325479
Remote Similarity 0.5673 NPC176983
Remote Similarity 0.5672 NPC293628
Remote Similarity 0.5672 NPC472258

Drug Structure

External Identifiers

TTD   DAP000576
DrugBank   DB01171
ChEMBL   CHEMBL86304
IUPHAR/BPS   7428
PharmaGKB   PA452615
KEGG Drug   D02561
PubChem CID   4235
ChEBI   83531
CAS Number  71320-77-9

Drug Properties

Molecular Weight  268.10
ALogP  0.0382
MLogP  2.34
XLogP  1.372
HDA  4
HBD  1
Rotatable Bonds  6
TPSA  41.57
RO5 Violation  0