Drug Information

Drug ID:  NPD2222
Drug Name:  propiram fumarate
Molecular Formula:  C16H25N3O
Canonical SMILES:  CCC(=O)N(c1ccccn1)C(CN1CCCCC1)C
Standard InCHI:  InChI=1S/C16H25N3O/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3
Standard InCHIKey:  ZBAFFZBKCMWUHM-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2222

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 0.7778 NPC84268
Intermediate Similarity 0.74 NPC65408
Intermediate Similarity 0.7181 NPC471322
Intermediate Similarity 0.7121 NPC83987
Intermediate Similarity 0.7059 NPC231655
Intermediate Similarity 0.7055 NPC476322
Remote Similarity 0.6975 NPC120070
Remote Similarity 0.6966 NPC48564
Remote Similarity 0.6966 NPC265605
Remote Similarity 0.6966 NPC182570
Remote Similarity 0.6934 NPC76540
Remote Similarity 0.6923 NPC297486
Remote Similarity 0.6923 NPC471402
Remote Similarity 0.6923 NPC240136
Remote Similarity 0.6913 NPC471313
Remote Similarity 0.6913 NPC471311
Remote Similarity 0.6906 NPC27802
Remote Similarity 0.6892 NPC245244
Remote Similarity 0.6892 NPC146373
Remote Similarity 0.6892 NPC166424
Remote Similarity 0.6879 NPC16659
Remote Similarity 0.6871 NPC290094
Remote Similarity 0.6852 NPC472260
Remote Similarity 0.6842 NPC317054
Remote Similarity 0.6821 NPC265710
Remote Similarity 0.6821 NPC476131
Remote Similarity 0.6803 NPC329825
Remote Similarity 0.6776 NPC69914
Remote Similarity 0.6755 NPC89490
Remote Similarity 0.6733 NPC202957
Remote Similarity 0.6733 NPC169625
Remote Similarity 0.6733 NPC135488
Remote Similarity 0.6726 NPC478182
Remote Similarity 0.6725 NPC54214
Remote Similarity 0.6711 NPC329896
Remote Similarity 0.6711 NPC475090
Remote Similarity 0.6711 NPC475105
Remote Similarity 0.669 NPC235843
Remote Similarity 0.6688 NPC330326
Remote Similarity 0.6667 NPC473380
Remote Similarity 0.6667 NPC240088
Remote Similarity 0.6647 NPC56233
Remote Similarity 0.6645 NPC313823
Remote Similarity 0.6644 NPC91958
Remote Similarity 0.6643 NPC473901
Remote Similarity 0.6623 NPC101165
Remote Similarity 0.6623 NPC324611
Remote Similarity 0.66 NPC27740
Remote Similarity 0.6591 NPC314281
Remote Similarity 0.6591 NPC40530
Remote Similarity 0.6585 NPC40070
Remote Similarity 0.6579 NPC212125
Remote Similarity 0.6561 NPC328029
Remote Similarity 0.6548 NPC293487
Remote Similarity 0.6536 NPC471589
Remote Similarity 0.6531 NPC143603
Remote Similarity 0.6519 NPC314102
Remote Similarity 0.6519 NPC251722
Remote Similarity 0.6519 NPC472288
Remote Similarity 0.6519 NPC471312
Remote Similarity 0.6516 NPC256893
Remote Similarity 0.6486 NPC11863
Remote Similarity 0.6474 NPC116961
Remote Similarity 0.6471 NPC194881
Remote Similarity 0.6467 NPC56856
Remote Similarity 0.6463 NPC477974
Remote Similarity 0.6456 NPC29702
Remote Similarity 0.6453 NPC478183
Remote Similarity 0.6442 NPC467188
Remote Similarity 0.6442 NPC470440
Remote Similarity 0.6438 NPC316811
Remote Similarity 0.6438 NPC32002
Remote Similarity 0.6438 NPC315348
Remote Similarity 0.6437 NPC226835
Remote Similarity 0.6433 NPC478184
Remote Similarity 0.6424 NPC46358
Remote Similarity 0.6409 NPC141612
Remote Similarity 0.6409 NPC135601
Remote Similarity 0.6409 NPC17273
Remote Similarity 0.6387 NPC71236
Remote Similarity 0.6379 NPC91895
Remote Similarity 0.6374 NPC470203
Remote Similarity 0.6374 NPC478185
Remote Similarity 0.6369 NPC322488
Remote Similarity 0.6364 NPC105811
Remote Similarity 0.6364 NPC306397
Remote Similarity 0.635 NPC213774
Remote Similarity 0.6348 NPC11126
Remote Similarity 0.6348 NPC248462
Remote Similarity 0.6346 NPC282398
Remote Similarity 0.6343 NPC476421
Remote Similarity 0.6343 NPC227489
Remote Similarity 0.6343 NPC28096
Remote Similarity 0.634 NPC151489
Remote Similarity 0.6339 NPC472289
Remote Similarity 0.6328 NPC136441
Remote Similarity 0.6319 NPC476527
Remote Similarity 0.6319 NPC20144
Remote Similarity 0.6316 NPC470204
Remote Similarity 0.6313 NPC147983
Remote Similarity 0.6313 NPC177996
Remote Similarity 0.6307 NPC161861
Remote Similarity 0.6298 NPC285923
Remote Similarity 0.6298 NPC228835
Remote Similarity 0.6294 NPC469897
Remote Similarity 0.6286 NPC32534
Remote Similarity 0.628 NPC471323
Remote Similarity 0.6279 NPC471177
Remote Similarity 0.6279 NPC124542
Remote Similarity 0.6279 NPC59779
Remote Similarity 0.6272 NPC476219
Remote Similarity 0.6271 NPC469529
Remote Similarity 0.627 NPC117244
Remote Similarity 0.627 NPC473763
Remote Similarity 0.6265 NPC470111
Remote Similarity 0.6258 NPC165370
Remote Similarity 0.625 NPC70406
Remote Similarity 0.625 NPC470233
Remote Similarity 0.625 NPC216159
Remote Similarity 0.6243 NPC474389
Remote Similarity 0.6242 NPC315320
Remote Similarity 0.623 NPC94752
Remote Similarity 0.6221 NPC473706
Remote Similarity 0.6221 NPC25899
Remote Similarity 0.6213 NPC200214
Remote Similarity 0.6211 NPC150259
Remote Similarity 0.6211 NPC313421
Remote Similarity 0.6211 NPC114310
Remote Similarity 0.6203 NPC474180
Remote Similarity 0.6203 NPC188821
Remote Similarity 0.6199 NPC129721
Remote Similarity 0.6193 NPC54981
Remote Similarity 0.6183 NPC210123
Remote Similarity 0.6182 NPC159630
Remote Similarity 0.6182 NPC230085
Remote Similarity 0.618 NPC469938
Remote Similarity 0.6176 NPC209362
Remote Similarity 0.6171 NPC49217
Remote Similarity 0.6167 NPC12649
Remote Similarity 0.6154 NPC270834
Remote Similarity 0.6154 NPC469975
Remote Similarity 0.615 NPC470731
Remote Similarity 0.6149 NPC21174
Remote Similarity 0.6149 NPC476418
Remote Similarity 0.6149 NPC271797
Remote Similarity 0.6149 NPC143156
Remote Similarity 0.6149 NPC206148
Remote Similarity 0.6146 NPC469308
Remote Similarity 0.6145 NPC204141
Remote Similarity 0.6134 NPC473376
Remote Similarity 0.6133 NPC24864
Remote Similarity 0.612 NPC21429
Remote Similarity 0.6118 NPC281094
Remote Similarity 0.6118 NPC251391
Remote Similarity 0.6114 NPC195507
Remote Similarity 0.6114 NPC471178
Remote Similarity 0.6114 NPC182507
Remote Similarity 0.6114 NPC2165
Remote Similarity 0.6111 NPC83774
Remote Similarity 0.6111 NPC64436
Remote Similarity 0.6108 NPC17059
Remote Similarity 0.6101 NPC174421
Remote Similarity 0.6098 NPC238499
Remote Similarity 0.6095 NPC313889
Remote Similarity 0.6092 NPC48192
Remote Similarity 0.6092 NPC253687
Remote Similarity 0.6092 NPC225018
Remote Similarity 0.6089 NPC97106
Remote Similarity 0.6087 NPC308931
Remote Similarity 0.6087 NPC99939
Remote Similarity 0.6087 NPC291517
Remote Similarity 0.6082 NPC229055
Remote Similarity 0.6082 NPC476297
Remote Similarity 0.608 NPC98187
Remote Similarity 0.608 NPC114637
Remote Similarity 0.6075 NPC213629
Remote Similarity 0.6074 NPC104049
Remote Similarity 0.6071 NPC179787
Remote Similarity 0.6071 NPC201380
Remote Similarity 0.6069 NPC80681
Remote Similarity 0.6061 NPC197068
Remote Similarity 0.6057 NPC469813
Remote Similarity 0.6057 NPC476446
Remote Similarity 0.6057 NPC78375
Remote Similarity 0.6051 NPC214827
Remote Similarity 0.6051 NPC314930
Remote Similarity 0.6048 NPC314372
Remote Similarity 0.6048 NPC86288
Remote Similarity 0.6047 NPC74357
Remote Similarity 0.6047 NPC51054
Remote Similarity 0.6047 NPC476464
Remote Similarity 0.6044 NPC73994
Remote Similarity 0.6044 NPC61011
Remote Similarity 0.6041 NPC71238
Remote Similarity 0.6037 NPC73767
Remote Similarity 0.6037 NPC88097
Remote Similarity 0.6037 NPC104483
Remote Similarity 0.6036 NPC321911
Remote Similarity 0.6036 NPC282531
Remote Similarity 0.6034 NPC255229

Drug Structure

External Identifiers

TTD   DIB008074
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  275.20
ALogP  -1.3638
MLogP  2.78
XLogP  2.718
HDA  4
HBD  0
Rotatable Bonds  8
TPSA  36.44
RO5 Violation  0