Drug Information

Drug ID:  NPD812
Drug Name:  Phendimetrazine
Molecular Formula:  C12H17NO
Canonical SMILES:  C[C@@H]1N(C)CCO[C@H]1c1ccccc1
Standard InCHI:  InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1
Standard InCHIKey:  MFOCDFTXLCYLKU-CMPLNLGQSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD812

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 0.932 NPC24777
High Similarity 0.8725 NPC316797
High Similarity 0.8544 NPC214200
High Similarity 0.8544 NPC228400
Intermediate Similarity 0.844 NPC269340
Intermediate Similarity 0.8091 NPC292758
Intermediate Similarity 0.8091 NPC65855
Intermediate Similarity 0.7963 NPC304761
Intermediate Similarity 0.7963 NPC147000
Intermediate Similarity 0.7963 NPC226778
Intermediate Similarity 0.7963 NPC150254
Intermediate Similarity 0.7815 NPC26285
Intermediate Similarity 0.7778 NPC327226
Intermediate Similarity 0.7664 NPC226096
Intermediate Similarity 0.7664 NPC303611
Intermediate Similarity 0.7664 NPC164514
Intermediate Similarity 0.7664 NPC290515
Intermediate Similarity 0.7664 NPC108606
Intermediate Similarity 0.7541 NPC307020
Intermediate Similarity 0.7383 NPC20142
Intermediate Similarity 0.7383 NPC215351
Intermediate Similarity 0.735 NPC26524
Intermediate Similarity 0.7308 NPC304760
Intermediate Similarity 0.7302 NPC469666
Intermediate Similarity 0.73 NPC165212
Intermediate Similarity 0.728 NPC65310
Intermediate Similarity 0.7257 NPC211551
Intermediate Similarity 0.7217 NPC97811
Intermediate Similarity 0.7213 NPC326232
Intermediate Similarity 0.7155 NPC158854
Intermediate Similarity 0.7154 NPC316896
Intermediate Similarity 0.7143 NPC136112
Intermediate Similarity 0.7143 NPC141739
Intermediate Similarity 0.7143 NPC320242
Intermediate Similarity 0.7121 NPC281104
Intermediate Similarity 0.712 NPC255253
Intermediate Similarity 0.712 NPC285394
Intermediate Similarity 0.7094 NPC95977
Intermediate Similarity 0.709 NPC212850
Intermediate Similarity 0.709 NPC83289
Intermediate Similarity 0.709 NPC189724
Intermediate Similarity 0.7073 NPC321133
Intermediate Similarity 0.7064 NPC58674
Intermediate Similarity 0.7063 NPC474847
Intermediate Similarity 0.7059 NPC1986
Intermediate Similarity 0.7059 NPC106313
Intermediate Similarity 0.7059 NPC474544
Intermediate Similarity 0.7054 NPC289381
Intermediate Similarity 0.7054 NPC155847
Intermediate Similarity 0.7034 NPC21890
Intermediate Similarity 0.7027 NPC322598
Intermediate Similarity 0.7027 NPC313918
Intermediate Similarity 0.7023 NPC325568
Intermediate Similarity 0.7019 NPC58616
Intermediate Similarity 0.7008 NPC124776
Remote Similarity 0.6992 NPC14950
Remote Similarity 0.6984 NPC328267
Remote Similarity 0.6984 NPC211218
Remote Similarity 0.6983 NPC186469
Remote Similarity 0.696 NPC317474
Remote Similarity 0.696 NPC291027
Remote Similarity 0.696 NPC169485
Remote Similarity 0.696 NPC213126
Remote Similarity 0.696 NPC84281
Remote Similarity 0.6957 NPC42383
Remote Similarity 0.6942 NPC213
Remote Similarity 0.6942 NPC10286
Remote Similarity 0.6935 NPC476183
Remote Similarity 0.6923 NPC304538
Remote Similarity 0.6916 NPC220893
Remote Similarity 0.6912 NPC204546
Remote Similarity 0.6893 NPC87299
Remote Similarity 0.6893 NPC103326
Remote Similarity 0.6893 NPC329319
Remote Similarity 0.6893 NPC99394
Remote Similarity 0.6887 NPC89377
Remote Similarity 0.6884 NPC247298
Remote Similarity 0.688 NPC476281
Remote Similarity 0.688 NPC476184
Remote Similarity 0.687 NPC246079
Remote Similarity 0.685 NPC217277
Remote Similarity 0.6846 NPC69496
Remote Similarity 0.6829 NPC137096
Remote Similarity 0.6825 NPC160493
Remote Similarity 0.6818 NPC233910
Remote Similarity 0.6818 NPC274732
Remote Similarity 0.6818 NPC118419
Remote Similarity 0.6818 NPC245836
Remote Similarity 0.6818 NPC97870
Remote Similarity 0.6818 NPC307123
Remote Similarity 0.6818 NPC247018
Remote Similarity 0.681 NPC476198
Remote Similarity 0.6803 NPC101139
Remote Similarity 0.68 NPC263835
Remote Similarity 0.6797 NPC62101
Remote Similarity 0.6797 NPC95733
Remote Similarity 0.6796 NPC117180
Remote Similarity 0.6794 NPC160193
Remote Similarity 0.6786 NPC325499
Remote Similarity 0.6786 NPC245974
Remote Similarity 0.6772 NPC476278
Remote Similarity 0.6759 NPC173443
Remote Similarity 0.6757 NPC161972
Remote Similarity 0.6757 NPC303045
Remote Similarity 0.6744 NPC29477
Remote Similarity 0.6744 NPC136453
Remote Similarity 0.6729 NPC211237
Remote Similarity 0.6727 NPC265521
Remote Similarity 0.6726 NPC475954
Remote Similarity 0.6724 NPC194390
Remote Similarity 0.6724 NPC88267
Remote Similarity 0.6724 NPC224610
Remote Similarity 0.6724 NPC113326
Remote Similarity 0.6721 NPC118202
Remote Similarity 0.672 NPC43275
Remote Similarity 0.6719 NPC476241
Remote Similarity 0.6719 NPC476260
Remote Similarity 0.6718 NPC283079
Remote Similarity 0.6716 NPC260045
Remote Similarity 0.6716 NPC475598
Remote Similarity 0.6716 NPC474855
Remote Similarity 0.6716 NPC151706
Remote Similarity 0.6716 NPC9687
Remote Similarity 0.6716 NPC474787
Remote Similarity 0.6716 NPC90194
Remote Similarity 0.6716 NPC293377
Remote Similarity 0.6716 NPC76785
Remote Similarity 0.6716 NPC476102
Remote Similarity 0.6716 NPC49577
Remote Similarity 0.6716 NPC118099
Remote Similarity 0.6716 NPC79465
Remote Similarity 0.6716 NPC474811
Remote Similarity 0.6716 NPC475318
Remote Similarity 0.6716 NPC273907
Remote Similarity 0.6715 NPC314682
Remote Similarity 0.6696 NPC154905
Remote Similarity 0.6696 NPC60373
Remote Similarity 0.6692 NPC105114
Remote Similarity 0.6692 NPC239990
Remote Similarity 0.6692 NPC152850
Remote Similarity 0.6692 NPC89923
Remote Similarity 0.6692 NPC218323
Remote Similarity 0.6692 NPC71933
Remote Similarity 0.6691 NPC318591
Remote Similarity 0.6691 NPC231163
Remote Similarity 0.6667 NPC472318
Remote Similarity 0.6667 NPC474479
Remote Similarity 0.6667 NPC476125
Remote Similarity 0.6667 NPC4974
Remote Similarity 0.6667 NPC190663
Remote Similarity 0.6667 NPC470925
Remote Similarity 0.6667 NPC328750
Remote Similarity 0.6667 NPC188163
Remote Similarity 0.6667 NPC476179
Remote Similarity 0.6667 NPC11147
Remote Similarity 0.6667 NPC98911
Remote Similarity 0.6667 NPC23453
Remote Similarity 0.6667 NPC213206
Remote Similarity 0.6667 NPC474915
Remote Similarity 0.6667 NPC104070
Remote Similarity 0.6641 NPC172403
Remote Similarity 0.6641 NPC66177
Remote Similarity 0.6641 NPC268763
Remote Similarity 0.6641 NPC8305
Remote Similarity 0.6641 NPC298486
Remote Similarity 0.664 NPC5932
Remote Similarity 0.6639 NPC120217
Remote Similarity 0.6638 NPC234305
Remote Similarity 0.6636 NPC470926
Remote Similarity 0.6636 NPC119631
Remote Similarity 0.6636 NPC226438
Remote Similarity 0.6635 NPC231986
Remote Similarity 0.6619 NPC266741
Remote Similarity 0.6619 NPC473922
Remote Similarity 0.6618 NPC77992
Remote Similarity 0.6618 NPC470249
Remote Similarity 0.6615 NPC110131
Remote Similarity 0.6615 NPC250476
Remote Similarity 0.6614 NPC314192
Remote Similarity 0.661 NPC472316
Remote Similarity 0.661 NPC475203
Remote Similarity 0.661 NPC472315
Remote Similarity 0.661 NPC474376
Remote Similarity 0.6609 NPC245927
Remote Similarity 0.6607 NPC5472
Remote Similarity 0.6604 NPC95429
Remote Similarity 0.6596 NPC130926
Remote Similarity 0.6596 NPC189908
Remote Similarity 0.6583 NPC290566
Remote Similarity 0.6583 NPC145638
Remote Similarity 0.6581 NPC85977
Remote Similarity 0.6577 NPC321956
Remote Similarity 0.6574 NPC17497
Remote Similarity 0.6574 NPC198747
Remote Similarity 0.6574 NPC305602
Remote Similarity 0.6571 NPC81026
Remote Similarity 0.6569 NPC319645
Remote Similarity 0.6569 NPC253429
Remote Similarity 0.6569 NPC193528
Remote Similarity 0.6567 NPC470392

Drug Structure

External Identifiers

TTD   DAP000574
DrugBank   DB01579
ChEMBL   CHEMBL1744
IUPHAR/BPS  
PharmaGKB   PA450902
KEGG Drug   D08347
PubChem CID   30487
ChEBI   8059
CAS Number  634-03-7

Drug Properties

Molecular Weight  191.13
ALogP  -0.0649
MLogP  2.56
XLogP  3.068
HDA  2
HBD  0
Rotatable Bonds  3
TPSA  12.47
RO5 Violation  0