Drug Information

Drug ID:  NPD801
Drug Name:  cericlamine
Molecular Formula:  C12H17Cl2NO
Canonical SMILES:  OCC(N(C)C)(Cc1ccc(c(c1)Cl)Cl)C
Standard InCHI:  InChI=1S/C12H17Cl2NO/c1-12(8-16,15(2)3)7-9-4-5-10(13)11(14)6-9/h4-6,16H,7-8H2,1-3H3
Standard InCHIKey:  FWYRGHMKHZXXQX-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD801

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 0.7434 NPC471310
Intermediate Similarity 0.7257 NPC214200
Intermediate Similarity 0.7257 NPC228400
Remote Similarity 0.678 NPC150254
Remote Similarity 0.678 NPC147000
Remote Similarity 0.678 NPC304761
Remote Similarity 0.678 NPC226778
Remote Similarity 0.6774 NPC471318
Remote Similarity 0.6752 NPC327226
Remote Similarity 0.6721 NPC313981
Remote Similarity 0.6693 NPC320656
Remote Similarity 0.6583 NPC474559
Remote Similarity 0.6577 NPC12429
Remote Similarity 0.6522 NPC303045
Remote Similarity 0.6522 NPC161972
Remote Similarity 0.6522 NPC58674
Remote Similarity 0.6518 NPC470877
Remote Similarity 0.6504 NPC292758
Remote Similarity 0.6504 NPC65855
Remote Similarity 0.65 NPC224610
Remote Similarity 0.65 NPC88267
Remote Similarity 0.65 NPC194390
Remote Similarity 0.65 NPC113326
Remote Similarity 0.6496 NPC226096
Remote Similarity 0.6496 NPC322598
Remote Similarity 0.6496 NPC290515
Remote Similarity 0.6496 NPC108606
Remote Similarity 0.6496 NPC303611
Remote Similarity 0.6496 NPC164514
Remote Similarity 0.6471 NPC208302
Remote Similarity 0.6466 NPC25565
Remote Similarity 0.646 NPC471307
Remote Similarity 0.646 NPC159178
Remote Similarity 0.646 NPC209764
Remote Similarity 0.646 NPC78041
Remote Similarity 0.646 NPC141139
Remote Similarity 0.646 NPC316108
Remote Similarity 0.646 NPC121872
Remote Similarity 0.646 NPC74936
Remote Similarity 0.6415 NPC224544
Remote Similarity 0.641 NPC473501
Remote Similarity 0.641 NPC475439
Remote Similarity 0.6404 NPC226438
Remote Similarity 0.6379 NPC20142
Remote Similarity 0.6379 NPC215351
Remote Similarity 0.6378 NPC113099
Remote Similarity 0.6346 NPC108218
Remote Similarity 0.6311 NPC67043
Remote Similarity 0.6311 NPC211551
Remote Similarity 0.6296 NPC164449
Remote Similarity 0.6296 NPC184030
Remote Similarity 0.6293 NPC471309
Remote Similarity 0.6271 NPC311242
Remote Similarity 0.6261 NPC245259
Remote Similarity 0.6216 NPC304538
Remote Similarity 0.6212 NPC476990
Remote Similarity 0.6202 NPC101139
Remote Similarity 0.6197 NPC316906
Remote Similarity 0.6195 NPC471638
Remote Similarity 0.6182 NPC121478
Remote Similarity 0.6182 NPC73637
Remote Similarity 0.6172 NPC35850
Remote Similarity 0.6172 NPC276949
Remote Similarity 0.6167 NPC12730
Remote Similarity 0.6165 NPC202521
Remote Similarity 0.6148 NPC307020
Remote Similarity 0.6132 NPC189371
Remote Similarity 0.6124 NPC33742
Remote Similarity 0.6119 NPC252878
Remote Similarity 0.6116 NPC155847
Remote Similarity 0.6116 NPC289381
Remote Similarity 0.6116 NPC316797
Remote Similarity 0.6116 NPC469457
Remote Similarity 0.6099 NPC313352
Remote Similarity 0.6091 NPC231986
Remote Similarity 0.6077 NPC213
Remote Similarity 0.6077 NPC10286
Remote Similarity 0.6075 NPC271642
Remote Similarity 0.6074 NPC6975
Remote Similarity 0.6074 NPC46427
Remote Similarity 0.6068 NPC265521
Remote Similarity 0.6048 NPC476198
Remote Similarity 0.6036 NPC329319
Remote Similarity 0.6036 NPC99394
Remote Similarity 0.6036 NPC283012
Remote Similarity 0.6036 NPC103326
Remote Similarity 0.6036 NPC87299
Remote Similarity 0.6036 NPC475199
Remote Similarity 0.6034 NPC172128
Remote Similarity 0.6032 NPC77294
Remote Similarity 0.6031 NPC470544
Remote Similarity 0.6018 NPC99482
Remote Similarity 0.6016 NPC269340
Remote Similarity 0.6 NPC325441
Remote Similarity 0.6 NPC192623
Remote Similarity 0.6 NPC469427
Remote Similarity 0.6 NPC293628
Remote Similarity 0.6 NPC309279
Remote Similarity 0.6 NPC122493
Remote Similarity 0.6 NPC469426
Remote Similarity 0.6 NPC327481
Remote Similarity 0.6 NPC10781
Remote Similarity 0.5985 NPC470545
Remote Similarity 0.5985 NPC477249
Remote Similarity 0.5985 NPC477248
Remote Similarity 0.5985 NPC137096
Remote Similarity 0.5984 NPC24777
Remote Similarity 0.5982 NPC172984
Remote Similarity 0.5982 NPC474088
Remote Similarity 0.5981 NPC98976
Remote Similarity 0.597 NPC317564
Remote Similarity 0.5965 NPC93843
Remote Similarity 0.5948 NPC1793
Remote Similarity 0.5946 NPC117180
Remote Similarity 0.594 NPC470546
Remote Similarity 0.5926 NPC139658
Remote Similarity 0.5923 NPC1986
Remote Similarity 0.5923 NPC474544
Remote Similarity 0.5913 NPC211237
Remote Similarity 0.5913 NPC198747
Remote Similarity 0.5913 NPC473031
Remote Similarity 0.5909 NPC2265
Remote Similarity 0.5899 NPC319766
Remote Similarity 0.5897 NPC258627
Remote Similarity 0.5887 NPC471317
Remote Similarity 0.5887 NPC164859
Remote Similarity 0.5882 NPC317474
Remote Similarity 0.5882 NPC169485
Remote Similarity 0.5882 NPC84281
Remote Similarity 0.5882 NPC213126
Remote Similarity 0.5882 NPC291027
Remote Similarity 0.5872 NPC66655
Remote Similarity 0.587 NPC474847
Remote Similarity 0.5868 NPC324569
Remote Similarity 0.5859 NPC158854
Remote Similarity 0.5857 NPC40488
Remote Similarity 0.5857 NPC17374
Remote Similarity 0.5857 NPC469666
Remote Similarity 0.5852 NPC478014
Remote Similarity 0.5852 NPC478015
Remote Similarity 0.5852 NPC326232
Remote Similarity 0.5852 NPC190663
Remote Similarity 0.5852 NPC478016
Remote Similarity 0.5847 NPC220596
Remote Similarity 0.5847 NPC79917
Remote Similarity 0.5845 NPC48909
Remote Similarity 0.5841 NPC477770
Remote Similarity 0.5833 NPC188010
Remote Similarity 0.5826 NPC203076
Remote Similarity 0.5821 NPC314992
Remote Similarity 0.5821 NPC310467
Remote Similarity 0.5816 NPC69496
Remote Similarity 0.5809 NPC71684
Remote Similarity 0.5804 NPC133050
Remote Similarity 0.5802 NPC91452
Remote Similarity 0.5798 NPC473661
Remote Similarity 0.5798 NPC314690
Remote Similarity 0.5797 NPC285394
Remote Similarity 0.5797 NPC222466
Remote Similarity 0.5786 NPC322366
Remote Similarity 0.5775 NPC130309
Remote Similarity 0.5766 NPC160493
Remote Similarity 0.576 NPC202613
Remote Similarity 0.5755 NPC101719
Remote Similarity 0.5752 NPC14326
Remote Similarity 0.575 NPC474974
Remote Similarity 0.5746 NPC169328
Remote Similarity 0.5741 NPC113000
Remote Similarity 0.5741 NPC112609
Remote Similarity 0.5741 NPC122327
Remote Similarity 0.5739 NPC3210
Remote Similarity 0.5739 NPC474354
Remote Similarity 0.5736 NPC145638
Remote Similarity 0.5736 NPC290566
Remote Similarity 0.5735 NPC302169
Remote Similarity 0.5735 NPC477061
Remote Similarity 0.5735 NPC80150
Remote Similarity 0.5735 NPC321133
Remote Similarity 0.5735 NPC45777
Remote Similarity 0.5735 NPC316582
Remote Similarity 0.5727 NPC290638
Remote Similarity 0.5725 NPC474584
Remote Similarity 0.5725 NPC474082
Remote Similarity 0.5725 NPC175726
Remote Similarity 0.5724 NPC76785
Remote Similarity 0.5724 NPC475598
Remote Similarity 0.5724 NPC476102
Remote Similarity 0.5724 NPC475318
Remote Similarity 0.5724 NPC9687
Remote Similarity 0.5724 NPC118099
Remote Similarity 0.5724 NPC79465
Remote Similarity 0.5724 NPC90194
Remote Similarity 0.5724 NPC474787
Remote Similarity 0.5724 NPC273907
Remote Similarity 0.5724 NPC49577
Remote Similarity 0.5724 NPC293377
Remote Similarity 0.5724 NPC260045
Remote Similarity 0.5724 NPC151706
Remote Similarity 0.5724 NPC474811
Remote Similarity 0.5724 NPC474855

Drug Structure

External Identifiers

TTD   DIB001317
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  261.07
ALogP  1.7335
MLogP  2.34
XLogP  2.633
HDA  2
HBD  1
Rotatable Bonds  10
TPSA  23.47
RO5 Violation  0