Drug Information

Drug ID:  NPD2991
Drug Name:  Chlorphenoxamine
Molecular Formula:  C18H22ClNO
Canonical SMILES:  CN(CCOC(c1ccc(cc1)Cl)(c1ccccc1)C)C
Standard InCHI:  InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3
Standard InCHIKey:  KKHPNPMTPORSQE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2991

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 0.8679 NPC316797
Intermediate Similarity 0.7823 NPC255253
Intermediate Similarity 0.7167 NPC24777
Intermediate Similarity 0.7165 NPC316896
Intermediate Similarity 0.7143 NPC165212
Intermediate Similarity 0.7103 NPC95429
Remote Similarity 0.6957 NPC325499
Remote Similarity 0.6923 NPC214200
Remote Similarity 0.6923 NPC228400
Remote Similarity 0.6911 NPC269340
Remote Similarity 0.6885 NPC292758
Remote Similarity 0.6885 NPC65855
Remote Similarity 0.6884 NPC316906
Remote Similarity 0.6833 NPC474559
Remote Similarity 0.6822 NPC321133
Remote Similarity 0.6815 NPC473247
Remote Similarity 0.6696 NPC304760
Remote Similarity 0.6667 NPC471310
Remote Similarity 0.6667 NPC119631
Remote Similarity 0.661 NPC313918
Remote Similarity 0.661 NPC475954
Remote Similarity 0.6606 NPC106313
Remote Similarity 0.6583 NPC60373
Remote Similarity 0.6583 NPC327226
Remote Similarity 0.6583 NPC154905
Remote Similarity 0.6579 NPC213156
Remote Similarity 0.6579 NPC240108
Remote Similarity 0.6577 NPC58616
Remote Similarity 0.6574 NPC328178
Remote Similarity 0.6557 NPC211551
Remote Similarity 0.6547 NPC273984
Remote Similarity 0.6541 NPC27198
Remote Similarity 0.6514 NPC133050
Remote Similarity 0.6504 NPC326801
Remote Similarity 0.6504 NPC92623
Remote Similarity 0.6504 NPC135464
Remote Similarity 0.65 NPC245927
Remote Similarity 0.6493 NPC328267
Remote Similarity 0.6493 NPC211218
Remote Similarity 0.6491 NPC220893
Remote Similarity 0.6491 NPC1793
Remote Similarity 0.6486 NPC304538
Remote Similarity 0.648 NPC273837
Remote Similarity 0.6475 NPC304761
Remote Similarity 0.6475 NPC226778
Remote Similarity 0.6475 NPC150254
Remote Similarity 0.6475 NPC147000
Remote Similarity 0.646 NPC89377
Remote Similarity 0.6446 NPC300166
Remote Similarity 0.6439 NPC263835
Remote Similarity 0.6429 NPC475710
Remote Similarity 0.6429 NPC474354
Remote Similarity 0.6423 NPC154899
Remote Similarity 0.6423 NPC233396
Remote Similarity 0.6418 NPC474283
Remote Similarity 0.6406 NPC176730
Remote Similarity 0.6406 NPC123175
Remote Similarity 0.6406 NPC91452
Remote Similarity 0.6391 NPC476184
Remote Similarity 0.6391 NPC476281
Remote Similarity 0.6387 NPC33168
Remote Similarity 0.6372 NPC474211
Remote Similarity 0.6371 NPC113457
Remote Similarity 0.637 NPC307020
Remote Similarity 0.6364 NPC256369
Remote Similarity 0.6364 NPC43275
Remote Similarity 0.6356 NPC215351
Remote Similarity 0.6356 NPC5472
Remote Similarity 0.6356 NPC20142
Remote Similarity 0.6349 NPC265211
Remote Similarity 0.6349 NPC474272
Remote Similarity 0.6349 NPC306045
Remote Similarity 0.6348 NPC199567
Remote Similarity 0.6348 NPC173443
Remote Similarity 0.6343 NPC14287
Remote Similarity 0.6339 NPC168855
Remote Similarity 0.6333 NPC303611
Remote Similarity 0.6333 NPC108606
Remote Similarity 0.6333 NPC470161
Remote Similarity 0.6333 NPC226096
Remote Similarity 0.6333 NPC290515
Remote Similarity 0.6333 NPC164514
Remote Similarity 0.6328 NPC128368
Remote Similarity 0.6325 NPC265521
Remote Similarity 0.6324 NPC95733
Remote Similarity 0.6324 NPC62101
Remote Similarity 0.6316 NPC476183
Remote Similarity 0.6312 NPC66643
Remote Similarity 0.6308 NPC303370
Remote Similarity 0.6308 NPC244403
Remote Similarity 0.6306 NPC87299
Remote Similarity 0.6306 NPC283012
Remote Similarity 0.6306 NPC329319
Remote Similarity 0.6306 NPC475199
Remote Similarity 0.6306 NPC99394
Remote Similarity 0.6306 NPC103326
Remote Similarity 0.6299 NPC95977
Remote Similarity 0.6296 NPC90577
Remote Similarity 0.6296 NPC151237
Remote Similarity 0.6296 NPC471314
Remote Similarity 0.6296 NPC476278
Remote Similarity 0.6296 NPC471315
Remote Similarity 0.6293 NPC172128
Remote Similarity 0.6283 NPC99482
Remote Similarity 0.6281 NPC98911
Remote Similarity 0.6281 NPC472318
Remote Similarity 0.6279 NPC26524
Remote Similarity 0.6277 NPC29477
Remote Similarity 0.6276 NPC212850
Remote Similarity 0.6276 NPC189724
Remote Similarity 0.6276 NPC83289
Remote Similarity 0.6273 NPC184030
Remote Similarity 0.6273 NPC164449
Remote Similarity 0.6271 NPC23453
Remote Similarity 0.627 NPC146096
Remote Similarity 0.627 NPC201959
Remote Similarity 0.626 NPC19856
Remote Similarity 0.626 NPC234305
Remote Similarity 0.625 NPC476241
Remote Similarity 0.625 NPC476260
Remote Similarity 0.625 NPC231163
Remote Similarity 0.625 NPC172984
Remote Similarity 0.625 NPC166837
Remote Similarity 0.625 NPC318591
Remote Similarity 0.624 NPC472316
Remote Similarity 0.624 NPC474376
Remote Similarity 0.624 NPC472315
Remote Similarity 0.624 NPC475203
Remote Similarity 0.6232 NPC8058
Remote Similarity 0.6231 NPC471318
Remote Similarity 0.623 NPC42211
Remote Similarity 0.6228 NPC93843
Remote Similarity 0.6222 NPC26285
Remote Similarity 0.622 NPC158854
Remote Similarity 0.6218 NPC58674
Remote Similarity 0.6216 NPC117180
Remote Similarity 0.6212 NPC476266
Remote Similarity 0.6212 NPC45794
Remote Similarity 0.621 NPC85977
Remote Similarity 0.621 NPC241224
Remote Similarity 0.6204 NPC476125
Remote Similarity 0.6204 NPC476179
Remote Similarity 0.6204 NPC33402
Remote Similarity 0.6202 NPC153795
Remote Similarity 0.6202 NPC265002
Remote Similarity 0.6202 NPC290353
Remote Similarity 0.6202 NPC42911
Remote Similarity 0.6197 NPC139335
Remote Similarity 0.619 NPC186469
Remote Similarity 0.619 NPC472314
Remote Similarity 0.619 NPC475465
Remote Similarity 0.6186 NPC321956
Remote Similarity 0.6186 NPC128645
Remote Similarity 0.6176 NPC475692
Remote Similarity 0.6174 NPC211237
Remote Similarity 0.6174 NPC198747
Remote Similarity 0.6172 NPC2682
Remote Similarity 0.6172 NPC475852
Remote Similarity 0.6167 NPC21959
Remote Similarity 0.6167 NPC26244
Remote Similarity 0.6165 NPC254233
Remote Similarity 0.6161 NPC121478
Remote Similarity 0.6161 NPC73637
Remote Similarity 0.616 NPC269457
Remote Similarity 0.616 NPC470393
Remote Similarity 0.616 NPC42383
Remote Similarity 0.6159 NPC136112
Remote Similarity 0.6159 NPC320242
Remote Similarity 0.6159 NPC141739
Remote Similarity 0.6154 NPC165106
Remote Similarity 0.6154 NPC1986
Remote Similarity 0.6154 NPC35344
Remote Similarity 0.6154 NPC474544
Remote Similarity 0.6154 NPC141003
Remote Similarity 0.6148 NPC216468
Remote Similarity 0.6148 NPC471576
Remote Similarity 0.6148 NPC325497
Remote Similarity 0.6148 NPC51333
Remote Similarity 0.6148 NPC132078
Remote Similarity 0.6148 NPC78119
Remote Similarity 0.6148 NPC118343
Remote Similarity 0.6143 NPC283079
Remote Similarity 0.6142 NPC469636
Remote Similarity 0.6142 NPC75440
Remote Similarity 0.6142 NPC97811
Remote Similarity 0.614 NPC3210
Remote Similarity 0.6136 NPC9341
Remote Similarity 0.6136 NPC81067
Remote Similarity 0.6131 NPC285394
Remote Similarity 0.6131 NPC475691
Remote Similarity 0.6129 NPC474365
Remote Similarity 0.6129 NPC12870
Remote Similarity 0.6129 NPC24327
Remote Similarity 0.6129 NPC301943
Remote Similarity 0.6127 NPC118419
Remote Similarity 0.6124 NPC234376
Remote Similarity 0.6116 NPC270654
Remote Similarity 0.6116 NPC473388
Remote Similarity 0.6115 NPC218323
Remote Similarity 0.6111 NPC189371

Drug Structure

External Identifiers

TTD  
DrugBank   DB09007
ChEMBL   CHEMBL2110774
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D07198
PubChem CID  
ChEBI   135288
CAS Number  77-38-3

Drug Properties

Molecular Weight  303.14
ALogP  0.9858
MLogP  3.11
XLogP  5.606
HDA  2
HBD  0
Rotatable Bonds  10
TPSA  12.47
RO5 Violation  1