Drug Information

Drug ID:  NPD2171
Drug Name:  Melperone
Molecular Formula:  C16H22FNO
Canonical SMILES:  CC1CCN(CC1)CCCC(=O)c1ccc(cc1)F
Standard InCHI:  InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3
Standard InCHIKey:  DKMFBWQBDIGMHM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD2171

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 0.8725 NPC167336
Intermediate Similarity 0.7745 NPC246757
Intermediate Similarity 0.7745 NPC291070
Intermediate Similarity 0.7684 NPC190567
Intermediate Similarity 0.7677 NPC17497
Intermediate Similarity 0.7677 NPC305602
Intermediate Similarity 0.767 NPC256452
Intermediate Similarity 0.766 NPC2785
Intermediate Similarity 0.766 NPC36342
Intermediate Similarity 0.766 NPC285470
Intermediate Similarity 0.7607 NPC27833
Intermediate Similarity 0.7579 NPC300205
Intermediate Similarity 0.7553 NPC245966
Intermediate Similarity 0.75 NPC69057
Intermediate Similarity 0.75 NPC71664
Intermediate Similarity 0.75 NPC164086
Intermediate Similarity 0.7423 NPC145053
Intermediate Similarity 0.7423 NPC273033
Intermediate Similarity 0.7423 NPC12936
Intermediate Similarity 0.7396 NPC151405
Intermediate Similarity 0.7396 NPC139901
Intermediate Similarity 0.7364 NPC473418
Intermediate Similarity 0.7355 NPC285394
Intermediate Similarity 0.7308 NPC1682
Intermediate Similarity 0.7308 NPC188844
Intermediate Similarity 0.7308 NPC153885
Intermediate Similarity 0.7273 NPC273758
Intermediate Similarity 0.7257 NPC158854
Intermediate Similarity 0.7241 NPC113099
Intermediate Similarity 0.7238 NPC238219
Intermediate Similarity 0.7232 NPC55529
Intermediate Similarity 0.7227 NPC177684
Intermediate Similarity 0.7227 NPC291962
Intermediate Similarity 0.7212 NPC133461
Intermediate Similarity 0.7212 NPC284475
Intermediate Similarity 0.717 NPC260233
Intermediate Similarity 0.7167 NPC161956
Intermediate Similarity 0.7167 NPC112373
Intermediate Similarity 0.7167 NPC258531
Intermediate Similarity 0.7157 NPC43945
Intermediate Similarity 0.7143 NPC59677
Intermediate Similarity 0.7143 NPC285716
Intermediate Similarity 0.7143 NPC323420
Intermediate Similarity 0.7143 NPC17408
Intermediate Similarity 0.7143 NPC155232
Intermediate Similarity 0.7128 NPC285679
Intermediate Similarity 0.7103 NPC185208
Intermediate Similarity 0.7103 NPC219573
Intermediate Similarity 0.71 NPC215008
Intermediate Similarity 0.7087 NPC157778
Intermediate Similarity 0.7083 NPC226143
Intermediate Similarity 0.7075 NPC71140
Intermediate Similarity 0.7071 NPC73978
Intermediate Similarity 0.7059 NPC160339
Intermediate Similarity 0.7059 NPC307
Intermediate Similarity 0.7049 NPC26285
Intermediate Similarity 0.704 NPC305717
Intermediate Similarity 0.7037 NPC239185
Intermediate Similarity 0.7021 NPC74458
Intermediate Similarity 0.701 NPC9796
Remote Similarity 0.6991 NPC45033
Remote Similarity 0.6981 NPC473661
Remote Similarity 0.6972 NPC322598
Remote Similarity 0.6972 NPC75724
Remote Similarity 0.6972 NPC134882
Remote Similarity 0.6972 NPC49994
Remote Similarity 0.697 NPC95868
Remote Similarity 0.6967 NPC257490
Remote Similarity 0.6961 NPC252067
Remote Similarity 0.6952 NPC173413
Remote Similarity 0.6952 NPC277277
Remote Similarity 0.6939 NPC137847
Remote Similarity 0.6939 NPC103488
Remote Similarity 0.6939 NPC76455
Remote Similarity 0.6931 NPC324624
Remote Similarity 0.6931 NPC197581
Remote Similarity 0.6931 NPC39600
Remote Similarity 0.6923 NPC267262
Remote Similarity 0.6915 NPC95289
Remote Similarity 0.69 NPC100039
Remote Similarity 0.6881 NPC265220
Remote Similarity 0.6881 NPC240042
Remote Similarity 0.688 NPC79698
Remote Similarity 0.6875 NPC202613
Remote Similarity 0.6869 NPC272260
Remote Similarity 0.6857 NPC418308
Remote Similarity 0.6857 NPC113307
Remote Similarity 0.6847 NPC476993
Remote Similarity 0.6847 NPC109514
Remote Similarity 0.6837 NPC329318
Remote Similarity 0.6837 NPC179726
Remote Similarity 0.6809 NPC98880
Remote Similarity 0.68 NPC477703
Remote Similarity 0.6796 NPC123476
Remote Similarity 0.6792 NPC19256
Remote Similarity 0.6792 NPC110420
Remote Similarity 0.6792 NPC67585
Remote Similarity 0.6792 NPC303967
Remote Similarity 0.6774 NPC213126
Remote Similarity 0.6774 NPC317474
Remote Similarity 0.6774 NPC84281
Remote Similarity 0.6774 NPC169485
Remote Similarity 0.6774 NPC291027
Remote Similarity 0.6765 NPC104070
Remote Similarity 0.6762 NPC473345
Remote Similarity 0.6759 NPC289883
Remote Similarity 0.6759 NPC474974
Remote Similarity 0.6748 NPC279385
Remote Similarity 0.6748 NPC179605
Remote Similarity 0.6746 NPC472244
Remote Similarity 0.6746 NPC470343
Remote Similarity 0.6735 NPC78500
Remote Similarity 0.6733 NPC231986
Remote Similarity 0.6726 NPC471317
Remote Similarity 0.6726 NPC471829
Remote Similarity 0.6726 NPC247976
Remote Similarity 0.6726 NPC475939
Remote Similarity 0.6726 NPC474866
Remote Similarity 0.6726 NPC472691
Remote Similarity 0.6702 NPC311343
Remote Similarity 0.6697 NPC472880
Remote Similarity 0.6694 NPC103292
Remote Similarity 0.6692 NPC473962
Remote Similarity 0.6692 NPC281104
Remote Similarity 0.6667 NPC472164
Remote Similarity 0.6667 NPC329282
Remote Similarity 0.664 NPC39818
Remote Similarity 0.6638 NPC172170
Remote Similarity 0.6636 NPC58872
Remote Similarity 0.6615 NPC126458
Remote Similarity 0.6612 NPC473573
Remote Similarity 0.6609 NPC476198
Remote Similarity 0.6604 NPC153308
Remote Similarity 0.6604 NPC477693
Remote Similarity 0.6604 NPC477704
Remote Similarity 0.6602 NPC149263
Remote Similarity 0.6602 NPC474088
Remote Similarity 0.6589 NPC150863
Remote Similarity 0.6583 NPC57051
Remote Similarity 0.6579 NPC329556
Remote Similarity 0.6577 NPC472788
Remote Similarity 0.6574 NPC470926
Remote Similarity 0.6566 NPC271642
Remote Similarity 0.6562 NPC119326
Remote Similarity 0.6552 NPC100767
Remote Similarity 0.6552 NPC472699
Remote Similarity 0.6552 NPC472700
Remote Similarity 0.6542 NPC325709
Remote Similarity 0.6542 NPC298115
Remote Similarity 0.6538 NPC472245
Remote Similarity 0.6538 NPC179224
Remote Similarity 0.6538 NPC314431
Remote Similarity 0.6538 NPC280807
Remote Similarity 0.6531 NPC208075
Remote Similarity 0.6529 NPC33742
Remote Similarity 0.6518 NPC145052
Remote Similarity 0.6514 NPC77273
Remote Similarity 0.6508 NPC268534
Remote Similarity 0.65 NPC298023
Remote Similarity 0.6496 NPC472695
Remote Similarity 0.6496 NPC472696
Remote Similarity 0.6496 NPC472701
Remote Similarity 0.6496 NPC472683
Remote Similarity 0.6486 NPC12695
Remote Similarity 0.6484 NPC474847
Remote Similarity 0.6471 NPC157055
Remote Similarity 0.6466 NPC266425
Remote Similarity 0.6466 NPC143516
Remote Similarity 0.6465 NPC98976
Remote Similarity 0.6446 NPC276949
Remote Similarity 0.6446 NPC35850
Remote Similarity 0.6441 NPC470252
Remote Similarity 0.6434 NPC65310
Remote Similarity 0.6429 NPC472258
Remote Similarity 0.6429 NPC103048
Remote Similarity 0.6429 NPC271437
Remote Similarity 0.6423 NPC239357
Remote Similarity 0.6422 NPC110704
Remote Similarity 0.6422 NPC103346
Remote Similarity 0.6422 NPC476484
Remote Similarity 0.6417 NPC181390
Remote Similarity 0.6415 NPC164526
Remote Similarity 0.6412 NPC69496
Remote Similarity 0.641 NPC474973
Remote Similarity 0.641 NPC474804
Remote Similarity 0.641 NPC471447
Remote Similarity 0.641 NPC130898
Remote Similarity 0.641 NPC473498
Remote Similarity 0.6404 NPC472879
Remote Similarity 0.6404 NPC112552
Remote Similarity 0.64 NPC139658
Remote Similarity 0.6393 NPC246904
Remote Similarity 0.6389 NPC231591
Remote Similarity 0.6379 NPC275467
Remote Similarity 0.6364 NPC157311
Remote Similarity 0.6355 NPC53492
Remote Similarity 0.6355 NPC194326
Remote Similarity 0.6349 NPC302169
Remote Similarity 0.6348 NPC222390
Remote Similarity 0.6348 NPC244427

Drug Structure

External Identifiers

TTD   DIB011932
DrugBank   DB09224
ChEMBL   CHEMBL1531134
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D07309
PubChem CID  
ChEBI   93626
CAS Number  3575-80-2

Drug Properties

Molecular Weight  263.17
ALogP  -0.4319
MLogP  2.89
XLogP  3.67
HDA  2
HBD  0
Rotatable Bonds  7
TPSA  20.31
RO5 Violation  0