Drug Information

Drug ID:  NPD5716
Drug Name:  Isopropamide Iodide
Molecular Formula:  C23H32N2O.HI
Canonical SMILES:  CC([N+](C(C)C)(CCC(c1ccccc1)(c1ccccc1)C(=N)[O-])C)C.I
Standard InCHI:  InChI=1S/C23H32N2O.HI/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);1H
Standard InCHIKey:  BFSMWENDZZIWPW-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5716

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 0.78 NPC172128
Intermediate Similarity 0.7524 NPC311242
Intermediate Similarity 0.7479 NPC109151
Intermediate Similarity 0.7429 NPC25565
Intermediate Similarity 0.7423 NPC231986
Intermediate Similarity 0.7411 NPC292758
Intermediate Similarity 0.7411 NPC65855
Intermediate Similarity 0.7358 NPC475439
Intermediate Similarity 0.7358 NPC473501
Intermediate Similarity 0.7333 NPC303045
Intermediate Similarity 0.7333 NPC161972
Intermediate Similarity 0.7282 NPC141139
Intermediate Similarity 0.7282 NPC74936
Intermediate Similarity 0.7282 NPC159178
Intermediate Similarity 0.7282 NPC316108
Intermediate Similarity 0.7282 NPC121872
Intermediate Similarity 0.7282 NPC471307
Intermediate Similarity 0.7282 NPC78041
Intermediate Similarity 0.7282 NPC209764
Intermediate Similarity 0.7265 NPC470544
Intermediate Similarity 0.7257 NPC158854
Intermediate Similarity 0.725 NPC71684
Intermediate Similarity 0.7212 NPC470926
Intermediate Similarity 0.7212 NPC226438
Intermediate Similarity 0.7207 NPC211551
Intermediate Similarity 0.7203 NPC470545
Intermediate Similarity 0.7196 NPC33168
Intermediate Similarity 0.7184 NPC470877
Intermediate Similarity 0.717 NPC58674
Intermediate Similarity 0.7156 NPC474582
Intermediate Similarity 0.7143 NPC470546
Intermediate Similarity 0.7143 NPC192623
Intermediate Similarity 0.7094 NPC33742
Intermediate Similarity 0.7075 NPC471309
Intermediate Similarity 0.7043 NPC319579
Intermediate Similarity 0.7031 NPC3202
Intermediate Similarity 0.703 NPC133162
Intermediate Similarity 0.7009 NPC329430
Intermediate Similarity 0.7009 NPC35850
Intermediate Similarity 0.7009 NPC276949
Intermediate Similarity 0.7 NPC228400
Intermediate Similarity 0.7 NPC214200
Intermediate Similarity 0.7 NPC316797
Remote Similarity 0.6984 NPC111428
Remote Similarity 0.6964 NPC224610
Remote Similarity 0.6964 NPC113326
Remote Similarity 0.6964 NPC88267
Remote Similarity 0.6964 NPC194390
Remote Similarity 0.6931 NPC119677
Remote Similarity 0.6903 NPC474695
Remote Similarity 0.6893 NPC203076
Remote Similarity 0.6863 NPC95429
Remote Similarity 0.6863 NPC169016
Remote Similarity 0.685 NPC40488
Remote Similarity 0.6846 NPC132847
Remote Similarity 0.6842 NPC327481
Remote Similarity 0.6829 NPC273830
Remote Similarity 0.6827 NPC471638
Remote Similarity 0.6827 NPC60408
Remote Similarity 0.6818 NPC322598
Remote Similarity 0.6814 NPC147000
Remote Similarity 0.6814 NPC304761
Remote Similarity 0.6814 NPC150254
Remote Similarity 0.6814 NPC226778
Remote Similarity 0.681 NPC24777
Remote Similarity 0.6807 NPC246904
Remote Similarity 0.68 NPC222466
Remote Similarity 0.678 NPC474584
Remote Similarity 0.6762 NPC12429
Remote Similarity 0.6754 NPC473418
Remote Similarity 0.6754 NPC167336
Remote Similarity 0.675 NPC473573
Remote Similarity 0.6746 NPC101719
Remote Similarity 0.6735 NPC139658
Remote Similarity 0.6729 NPC245259
Remote Similarity 0.6727 NPC472258
Remote Similarity 0.6701 NPC113000
Remote Similarity 0.6701 NPC122327
Remote Similarity 0.6701 NPC112609
Remote Similarity 0.6696 NPC45033
Remote Similarity 0.6696 NPC473498
Remote Similarity 0.6694 NPC82963
Remote Similarity 0.6694 NPC316896
Remote Similarity 0.6693 NPC477937
Remote Similarity 0.6667 NPC290638
Remote Similarity 0.6667 NPC303611
Remote Similarity 0.6667 NPC275467
Remote Similarity 0.6667 NPC198747
Remote Similarity 0.6667 NPC164514
Remote Similarity 0.6667 NPC22746
Remote Similarity 0.6667 NPC283760
Remote Similarity 0.6667 NPC108606
Remote Similarity 0.6667 NPC226096
Remote Similarity 0.6667 NPC290515
Remote Similarity 0.6642 NPC153007
Remote Similarity 0.6639 NPC38458
Remote Similarity 0.6639 NPC311737
Remote Similarity 0.6637 NPC239854
Remote Similarity 0.6637 NPC327226
Remote Similarity 0.6636 NPC471320
Remote Similarity 0.6636 NPC471319
Remote Similarity 0.6636 NPC258627
Remote Similarity 0.6615 NPC126859
Remote Similarity 0.6615 NPC259665
Remote Similarity 0.6615 NPC89769
Remote Similarity 0.6614 NPC472414
Remote Similarity 0.6613 NPC476990
Remote Similarity 0.6612 NPC101139
Remote Similarity 0.6612 NPC317254
Remote Similarity 0.661 NPC474149
Remote Similarity 0.6609 NPC476198
Remote Similarity 0.6602 NPC104070
Remote Similarity 0.6589 NPC473322
Remote Similarity 0.6589 NPC268763
Remote Similarity 0.6589 NPC8305
Remote Similarity 0.6589 NPC66177
Remote Similarity 0.6587 NPC472415
Remote Similarity 0.6579 NPC164859
Remote Similarity 0.6579 NPC471310
Remote Similarity 0.6579 NPC471317
Remote Similarity 0.6566 NPC271642
Remote Similarity 0.656 NPC202521
Remote Similarity 0.6549 NPC469457
Remote Similarity 0.6545 NPC108339
Remote Similarity 0.6535 NPC307020
Remote Similarity 0.6535 NPC285394
Remote Similarity 0.6529 NPC118202
Remote Similarity 0.6529 NPC205652
Remote Similarity 0.6525 NPC258056
Remote Similarity 0.6522 NPC472103
Remote Similarity 0.6515 NPC313663
Remote Similarity 0.6509 NPC17497
Remote Similarity 0.6509 NPC473031
Remote Similarity 0.6509 NPC305602
Remote Similarity 0.6508 NPC213126
Remote Similarity 0.6508 NPC84281
Remote Similarity 0.6508 NPC291027
Remote Similarity 0.6508 NPC317474
Remote Similarity 0.6508 NPC252878
Remote Similarity 0.6508 NPC169485
Remote Similarity 0.6505 NPC14326
Remote Similarity 0.65 NPC325662
Remote Similarity 0.65 NPC98269
Remote Similarity 0.6493 NPC127741
Remote Similarity 0.6493 NPC478140
Remote Similarity 0.6489 NPC255447
Remote Similarity 0.6484 NPC47667
Remote Similarity 0.648 NPC45777
Remote Similarity 0.648 NPC326232
Remote Similarity 0.648 NPC477061
Remote Similarity 0.6475 NPC475578
Remote Similarity 0.6471 NPC184030
Remote Similarity 0.6471 NPC164449
Remote Similarity 0.6466 NPC267237
Remote Similarity 0.6466 NPC67043
Remote Similarity 0.6465 NPC276699
Remote Similarity 0.6465 NPC189371
Remote Similarity 0.6465 NPC98976
Remote Similarity 0.6462 NPC71271
Remote Similarity 0.646 NPC12730
Remote Similarity 0.6457 NPC46427
Remote Similarity 0.6457 NPC35996
Remote Similarity 0.6457 NPC6975
Remote Similarity 0.6455 NPC322040
Remote Similarity 0.6452 NPC264580
Remote Similarity 0.6449 NPC325441
Remote Similarity 0.6449 NPC473922
Remote Similarity 0.6444 NPC77992
Remote Similarity 0.6444 NPC132636
Remote Similarity 0.6442 NPC146703
Remote Similarity 0.6442 NPC474088
Remote Similarity 0.6441 NPC96224
Remote Similarity 0.6441 NPC153690
Remote Similarity 0.6441 NPC24101
Remote Similarity 0.6439 NPC42423
Remote Similarity 0.6439 NPC326966
Remote Similarity 0.6439 NPC246913
Remote Similarity 0.6436 NPC12857
Remote Similarity 0.6436 NPC224544
Remote Similarity 0.6435 NPC202613
Remote Similarity 0.6423 NPC239357
Remote Similarity 0.6423 NPC161069
Remote Similarity 0.6417 NPC329011
Remote Similarity 0.6415 NPC258046
Remote Similarity 0.6412 NPC271808
Remote Similarity 0.6412 NPC124802
Remote Similarity 0.641 NPC231705
Remote Similarity 0.6404 NPC155847
Remote Similarity 0.6404 NPC289381
Remote Similarity 0.6396 NPC215351
Remote Similarity 0.6396 NPC20142
Remote Similarity 0.6393 NPC470550
Remote Similarity 0.6392 NPC229235
Remote Similarity 0.6391 NPC149379
Remote Similarity 0.6385 NPC478079
Remote Similarity 0.6371 NPC313449
Remote Similarity 0.6364 NPC265521
Remote Similarity 0.6364 NPC473661
Remote Similarity 0.6364 NPC183722
Remote Similarity 0.6357 NPC44649

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  352.25
ALogP  -2.0992
MLogP  3.66
XLogP  8.25
HDA  2
HBD  1
Rotatable Bonds  14
TPSA  46.91
RO5 Violation  1