Drug Information

Drug ID:  NPD2213
Drug Name:  Molindone Hydrochloride
Molecular Formula:  C16H24N2O2.ClH
Canonical SMILES:  CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1.Cl
Standard InCHI:  InChI=1S/C16H24N2O2.ClH/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18;/h12,17H,3-10H2,1-2H3;1H
Standard InCHIKey:  GQWNECFJGBQMBO-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2213

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 0.7758 NPC100104
Intermediate Similarity 0.7758 NPC470680
Intermediate Similarity 0.7725 NPC115232
Intermediate Similarity 0.7697 NPC474492
Intermediate Similarity 0.7665 NPC21174
Intermediate Similarity 0.7665 NPC271797
Intermediate Similarity 0.7514 NPC472210
Intermediate Similarity 0.7514 NPC269886
Intermediate Similarity 0.7514 NPC247735
Intermediate Similarity 0.7514 NPC472295
Intermediate Similarity 0.7514 NPC133003
Intermediate Similarity 0.7514 NPC81802
Intermediate Similarity 0.75 NPC214106
Intermediate Similarity 0.7456 NPC274981
Intermediate Similarity 0.7444 NPC324091
Intermediate Similarity 0.7414 NPC151635
Intermediate Similarity 0.7412 NPC71132
Intermediate Similarity 0.7394 NPC217021
Intermediate Similarity 0.7394 NPC470679
Intermediate Similarity 0.7378 NPC123906
Intermediate Similarity 0.7363 NPC472292
Intermediate Similarity 0.736 NPC477003
Intermediate Similarity 0.7337 NPC472293
Intermediate Similarity 0.7337 NPC472116
Intermediate Similarity 0.7337 NPC102592
Intermediate Similarity 0.7337 NPC79356
Intermediate Similarity 0.7333 NPC473878
Intermediate Similarity 0.7321 NPC76982
Intermediate Similarity 0.7312 NPC472296
Intermediate Similarity 0.7312 NPC472297
Intermediate Similarity 0.7268 NPC472113
Intermediate Similarity 0.7268 NPC472291
Intermediate Similarity 0.7253 NPC472112
Intermediate Similarity 0.7247 NPC191415
Intermediate Similarity 0.7246 NPC251391
Intermediate Similarity 0.7241 NPC6982
Intermediate Similarity 0.7222 NPC114033
Intermediate Similarity 0.7222 NPC101130
Intermediate Similarity 0.7222 NPC129412
Intermediate Similarity 0.7222 NPC58268
Intermediate Similarity 0.7213 NPC476460
Intermediate Similarity 0.7209 NPC42372
Intermediate Similarity 0.72 NPC252572
Intermediate Similarity 0.7191 NPC477042
Intermediate Similarity 0.7191 NPC469896
Intermediate Similarity 0.7186 NPC70406
Intermediate Similarity 0.7182 NPC17273
Intermediate Similarity 0.7182 NPC141612
Intermediate Similarity 0.7182 NPC135601
Intermediate Similarity 0.7175 NPC83774
Intermediate Similarity 0.7175 NPC284775
Intermediate Similarity 0.7159 NPC293216
Intermediate Similarity 0.7158 NPC329858
Intermediate Similarity 0.7143 NPC262338
Intermediate Similarity 0.7126 NPC313889
Intermediate Similarity 0.7111 NPC470205
Intermediate Similarity 0.7111 NPC102755
Intermediate Similarity 0.7104 NPC63199
Intermediate Similarity 0.7104 NPC196251
Intermediate Similarity 0.7104 NPC111602
Intermediate Similarity 0.7104 NPC102338
Intermediate Similarity 0.7102 NPC161861
Intermediate Similarity 0.7097 NPC220151
Intermediate Similarity 0.7097 NPC19692
Intermediate Similarity 0.7095 NPC61011
Intermediate Similarity 0.709 NPC214428
Intermediate Similarity 0.7086 NPC471943
Intermediate Similarity 0.7081 NPC55493
Intermediate Similarity 0.7072 NPC21429
Intermediate Similarity 0.7065 NPC314333
Intermediate Similarity 0.7062 NPC186068
Intermediate Similarity 0.7059 NPC292361
Intermediate Similarity 0.7043 NPC304203
Intermediate Similarity 0.7029 NPC70949
Intermediate Similarity 0.7024 NPC471655
Intermediate Similarity 0.7018 NPC213914
Intermediate Similarity 0.7016 NPC162730
Intermediate Similarity 0.7011 NPC175474
Intermediate Similarity 0.7 NPC209362
Intermediate Similarity 0.7 NPC88110
Intermediate Similarity 0.7 NPC73994
Remote Similarity 0.6995 NPC277350
Remote Similarity 0.6979 NPC317701
Remote Similarity 0.6978 NPC46895
Remote Similarity 0.697 NPC477979
Remote Similarity 0.6961 NPC470677
Remote Similarity 0.6952 NPC267343
Remote Similarity 0.6952 NPC326422
Remote Similarity 0.6943 NPC132539
Remote Similarity 0.694 NPC474258
Remote Similarity 0.6931 NPC167710
Remote Similarity 0.6927 NPC474116
Remote Similarity 0.6923 NPC117027
Remote Similarity 0.6919 NPC221873
Remote Similarity 0.6919 NPC473666
Remote Similarity 0.6914 NPC292434
Remote Similarity 0.6914 NPC14448
Remote Similarity 0.6914 NPC64661
Remote Similarity 0.6914 NPC98156
Remote Similarity 0.6914 NPC138596
Remote Similarity 0.6914 NPC200397
Remote Similarity 0.6914 NPC195704
Remote Similarity 0.6914 NPC167200
Remote Similarity 0.6906 NPC234403
Remote Similarity 0.6906 NPC79777
Remote Similarity 0.6906 NPC91179
Remote Similarity 0.6905 NPC100726
Remote Similarity 0.6905 NPC105811
Remote Similarity 0.6897 NPC242116
Remote Similarity 0.6889 NPC234987
Remote Similarity 0.6886 NPC470440
Remote Similarity 0.6886 NPC467188
Remote Similarity 0.6882 NPC154339
Remote Similarity 0.6875 NPC114637
Remote Similarity 0.6859 NPC237414
Remote Similarity 0.6859 NPC477004
Remote Similarity 0.6857 NPC265100
Remote Similarity 0.6853 NPC123839
Remote Similarity 0.6851 NPC219336
Remote Similarity 0.6848 NPC59084
Remote Similarity 0.6845 NPC478078
Remote Similarity 0.6831 NPC159125
Remote Similarity 0.6828 NPC473628
Remote Similarity 0.6825 NPC135950
Remote Similarity 0.6823 NPC195461
Remote Similarity 0.6823 NPC81654
Remote Similarity 0.6823 NPC312870
Remote Similarity 0.6823 NPC199851
Remote Similarity 0.6823 NPC249150
Remote Similarity 0.6823 NPC49196
Remote Similarity 0.6823 NPC294909
Remote Similarity 0.6823 NPC128265
Remote Similarity 0.6823 NPC254240
Remote Similarity 0.6823 NPC313985
Remote Similarity 0.6823 NPC79129
Remote Similarity 0.6818 NPC233380
Remote Similarity 0.6813 NPC182940
Remote Similarity 0.6811 NPC66210
Remote Similarity 0.6807 NPC63157
Remote Similarity 0.6807 NPC473868
Remote Similarity 0.6806 NPC477041
Remote Similarity 0.6806 NPC477044
Remote Similarity 0.6806 NPC52557
Remote Similarity 0.6805 NPC21605
Remote Similarity 0.6796 NPC217372
Remote Similarity 0.6796 NPC15573
Remote Similarity 0.6796 NPC183662
Remote Similarity 0.6793 NPC258480
Remote Similarity 0.6793 NPC228835
Remote Similarity 0.6789 NPC245916
Remote Similarity 0.6784 NPC475778
Remote Similarity 0.6778 NPC469529
Remote Similarity 0.6774 NPC473946
Remote Similarity 0.6771 NPC241024
Remote Similarity 0.6771 NPC103361
Remote Similarity 0.6771 NPC74413
Remote Similarity 0.6768 NPC234999
Remote Similarity 0.6765 NPC102664
Remote Similarity 0.6758 NPC11126
Remote Similarity 0.6755 NPC138370
Remote Similarity 0.6751 NPC266249
Remote Similarity 0.6748 NPC198988
Remote Similarity 0.6747 NPC12831
Remote Similarity 0.6747 NPC97230
Remote Similarity 0.6747 NPC59839
Remote Similarity 0.6747 NPC209281
Remote Similarity 0.6747 NPC2949
Remote Similarity 0.6747 NPC169308
Remote Similarity 0.6747 NPC74928
Remote Similarity 0.6747 NPC205604
Remote Similarity 0.6747 NPC77582
Remote Similarity 0.6747 NPC286529
Remote Similarity 0.6747 NPC48171
Remote Similarity 0.6747 NPC129753
Remote Similarity 0.6747 NPC244087
Remote Similarity 0.6747 NPC3698
Remote Similarity 0.6747 NPC302717
Remote Similarity 0.6739 NPC143533
Remote Similarity 0.6725 NPC33421
Remote Similarity 0.6723 NPC2414
Remote Similarity 0.6722 NPC191310
Remote Similarity 0.6721 NPC15840
Remote Similarity 0.672 NPC160381
Remote Similarity 0.672 NPC47190
Remote Similarity 0.6719 NPC50503
Remote Similarity 0.6705 NPC194881
Remote Similarity 0.6703 NPC14113
Remote Similarity 0.6703 NPC145885
Remote Similarity 0.6703 NPC472119
Remote Similarity 0.6703 NPC84827
Remote Similarity 0.6703 NPC110158
Remote Similarity 0.6702 NPC469489
Remote Similarity 0.6702 NPC475874
Remote Similarity 0.67 NPC110182
Remote Similarity 0.67 NPC118940
Remote Similarity 0.6685 NPC189812
Remote Similarity 0.6685 NPC113626
Remote Similarity 0.6685 NPC329688
Remote Similarity 0.6684 NPC477045
Remote Similarity 0.6684 NPC477415

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  276.18
ALogP  0.3458
MLogP  2.78
XLogP  1.235
HDA  4
HBD  1
Rotatable Bonds  5
TPSA  45.33
RO5 Violation  0