Drug Information

Drug ID:  NPD1812
Drug Name:  Lisdexamfetamine Dimesylate
Molecular Formula:  C15H25N3O.2CH4O3S
Canonical SMILES:  CS(=O)(=O)O.CS(=O)(=O)O.NCCCC[C@@H](C(=N[C@H](Cc1ccccc1)C)O)N
Standard InCHI:  InChI=1S/C15H25N3O.2CH4O3S/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16;2*1-5(2,3)4/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19);2*1H3,(H,2,3,4)/t12-,14-;;/m0../s1
Standard InCHIKey:  CETWSOHVEGTIBR-FORAGAHYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1812

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 0.8913 NPC303045
High Similarity 0.8913 NPC161972
High Similarity 0.8817 NPC25565
High Similarity 0.8791 NPC226438
High Similarity 0.8776 NPC327481
High Similarity 0.8723 NPC473501
High Similarity 0.8723 NPC475439
High Similarity 0.8571 NPC470877
High Similarity 0.8556 NPC471638
High Similarity 0.8526 NPC311242
Intermediate Similarity 0.8478 NPC74936
Intermediate Similarity 0.8478 NPC209764
Intermediate Similarity 0.8478 NPC141139
Intermediate Similarity 0.8478 NPC316108
Intermediate Similarity 0.8478 NPC78041
Intermediate Similarity 0.8478 NPC121872
Intermediate Similarity 0.8478 NPC159178
Intermediate Similarity 0.8478 NPC471307
Intermediate Similarity 0.8283 NPC164859
Intermediate Similarity 0.8269 NPC474584
Intermediate Similarity 0.8261 NPC12429
Intermediate Similarity 0.8252 NPC319579
Intermediate Similarity 0.8211 NPC471309
Intermediate Similarity 0.82 NPC113326
Intermediate Similarity 0.82 NPC194390
Intermediate Similarity 0.82 NPC88267
Intermediate Similarity 0.82 NPC224610
Intermediate Similarity 0.8191 NPC245259
Intermediate Similarity 0.8173 NPC329011
Intermediate Similarity 0.8125 NPC58674
Intermediate Similarity 0.8085 NPC172128
Intermediate Similarity 0.8037 NPC197470
Intermediate Similarity 0.798 NPC12730
Intermediate Similarity 0.7978 NPC192623
Intermediate Similarity 0.7963 NPC2265
Intermediate Similarity 0.7907 NPC112609
Intermediate Similarity 0.7907 NPC113000
Intermediate Similarity 0.7907 NPC122327
Intermediate Similarity 0.7879 NPC226096
Intermediate Similarity 0.7879 NPC290515
Intermediate Similarity 0.7879 NPC164514
Intermediate Similarity 0.7879 NPC108606
Intermediate Similarity 0.7879 NPC303611
Intermediate Similarity 0.7872 NPC325441
Intermediate Similarity 0.7818 NPC314992
Intermediate Similarity 0.7778 NPC10781
Intermediate Similarity 0.7778 NPC122493
Intermediate Similarity 0.7778 NPC293628
Intermediate Similarity 0.7766 NPC473031
Intermediate Similarity 0.7748 NPC283760
Intermediate Similarity 0.7708 NPC258627
Intermediate Similarity 0.767 NPC147000
Intermediate Similarity 0.767 NPC150254
Intermediate Similarity 0.767 NPC226778
Intermediate Similarity 0.767 NPC304761
Intermediate Similarity 0.766 NPC203076
Intermediate Similarity 0.764 NPC98269
Intermediate Similarity 0.764 NPC325662
Intermediate Similarity 0.764 NPC290638
Intermediate Similarity 0.7611 NPC71684
Intermediate Similarity 0.7609 NPC14326
Intermediate Similarity 0.76 NPC324569
Intermediate Similarity 0.7596 NPC211551
Intermediate Similarity 0.7596 NPC67043
Intermediate Similarity 0.7576 NPC215351
Intermediate Similarity 0.7576 NPC20142
Intermediate Similarity 0.7573 NPC471310
Intermediate Similarity 0.7573 NPC202613
Intermediate Similarity 0.7573 NPC471317
Intermediate Similarity 0.7558 NPC229235
Intermediate Similarity 0.7553 NPC3210
Intermediate Similarity 0.7528 NPC139658
Intermediate Similarity 0.7523 NPC276949
Intermediate Similarity 0.7523 NPC35850
Intermediate Similarity 0.7478 NPC35996
Intermediate Similarity 0.7476 NPC327226
Intermediate Similarity 0.7455 NPC33742
Intermediate Similarity 0.7455 NPC118202
Intermediate Similarity 0.7426 NPC33168
Intermediate Similarity 0.7416 NPC276699
Intermediate Similarity 0.7396 NPC198747
Intermediate Similarity 0.7387 NPC317254
Intermediate Similarity 0.7379 NPC228400
Intermediate Similarity 0.7379 NPC214200
Intermediate Similarity 0.7358 NPC231705
Intermediate Similarity 0.734 NPC119677
Intermediate Similarity 0.7333 NPC275467
Intermediate Similarity 0.7327 NPC471320
Intermediate Similarity 0.7327 NPC471319
Intermediate Similarity 0.7321 NPC470544
Intermediate Similarity 0.7288 NPC477937
Intermediate Similarity 0.7257 NPC254088
Intermediate Similarity 0.7257 NPC470545
Intermediate Similarity 0.7257 NPC169328
Intermediate Similarity 0.7238 NPC178902
Intermediate Similarity 0.7212 NPC469457
Intermediate Similarity 0.72 NPC265521
Intermediate Similarity 0.7193 NPC237420
Intermediate Similarity 0.7193 NPC470546
Intermediate Similarity 0.7193 NPC310467
Intermediate Similarity 0.7191 NPC244738
Intermediate Similarity 0.7168 NPC82963
Intermediate Similarity 0.7156 NPC258056
Intermediate Similarity 0.713 NPC142297
Intermediate Similarity 0.7129 NPC7067
Intermediate Similarity 0.7115 NPC125732
Intermediate Similarity 0.7105 NPC311737
Intermediate Similarity 0.7105 NPC38458
Intermediate Similarity 0.7091 NPC474149
Intermediate Similarity 0.708 NPC101139
Intermediate Similarity 0.7069 NPC478014
Intermediate Similarity 0.7069 NPC478016
Intermediate Similarity 0.7069 NPC478015
Intermediate Similarity 0.7069 NPC45777
Intermediate Similarity 0.7069 NPC477061
Intermediate Similarity 0.7069 NPC476990
Intermediate Similarity 0.7059 NPC108339
Intermediate Similarity 0.7059 NPC101719
Intermediate Similarity 0.7027 NPC275410
Intermediate Similarity 0.7021 NPC309279
Intermediate Similarity 0.7019 NPC322598
Intermediate Similarity 0.7018 NPC285926
Intermediate Similarity 0.7018 NPC315276
Intermediate Similarity 0.7018 NPC14672
Intermediate Similarity 0.7009 NPC202521
Intermediate Similarity 0.7 NPC78154
Remote Similarity 0.6992 NPC326966
Remote Similarity 0.699 NPC3371
Remote Similarity 0.6989 NPC12857
Remote Similarity 0.6981 NPC318154
Remote Similarity 0.6979 NPC146703
Remote Similarity 0.6975 NPC22746
Remote Similarity 0.6975 NPC222466
Remote Similarity 0.6967 NPC325651
Remote Similarity 0.6966 NPC219246
Remote Similarity 0.6964 NPC273814
Remote Similarity 0.6961 NPC291070
Remote Similarity 0.6961 NPC246757
Remote Similarity 0.6961 NPC476483
Remote Similarity 0.6949 NPC252878
Remote Similarity 0.6949 NPC27581
Remote Similarity 0.693 NPC188010
Remote Similarity 0.6923 NPC200964
Remote Similarity 0.6916 NPC68055
Remote Similarity 0.6916 NPC178681
Remote Similarity 0.6909 NPC24101
Remote Similarity 0.6909 NPC96224
Remote Similarity 0.6907 NPC169016
Remote Similarity 0.6903 NPC1986
Remote Similarity 0.6903 NPC474544
Remote Similarity 0.6891 NPC46427
Remote Similarity 0.6891 NPC6975
Remote Similarity 0.6889 NPC208302
Remote Similarity 0.6885 NPC111428
Remote Similarity 0.6881 NPC191215
Remote Similarity 0.6881 NPC274089
Remote Similarity 0.6881 NPC473498
Remote Similarity 0.687 NPC239357
Remote Similarity 0.6864 NPC273830
Remote Similarity 0.6863 NPC323164
Remote Similarity 0.6848 NPC189371
Remote Similarity 0.6847 NPC24777
Remote Similarity 0.6842 NPC470550
Remote Similarity 0.6842 NPC471318
Remote Similarity 0.6842 NPC205652
Remote Similarity 0.6825 NPC314835
Remote Similarity 0.6796 NPC469330
Remote Similarity 0.678 NPC80150
Remote Similarity 0.678 NPC190663
Remote Similarity 0.6777 NPC474479
Remote Similarity 0.6777 NPC4974
Remote Similarity 0.6777 NPC47667
Remote Similarity 0.6774 NPC271642
Remote Similarity 0.6771 NPC231986
Remote Similarity 0.6757 NPC153690
Remote Similarity 0.6746 NPC141050
Remote Similarity 0.6746 NPC267237
Remote Similarity 0.6739 NPC299134
Remote Similarity 0.6739 NPC108218
Remote Similarity 0.6729 NPC155847
Remote Similarity 0.6729 NPC289381
Remote Similarity 0.6727 NPC474804
Remote Similarity 0.6727 NPC474973
Remote Similarity 0.6727 NPC130898
Remote Similarity 0.6719 NPC132636
Remote Similarity 0.6698 NPC107619
Remote Similarity 0.6696 NPC290566
Remote Similarity 0.6696 NPC145638
Remote Similarity 0.6695 NPC319950
Remote Similarity 0.6667 NPC319766
Remote Similarity 0.6667 NPC474862
Remote Similarity 0.6667 NPC160493
Remote Similarity 0.6667 NPC329375
Remote Similarity 0.6667 NPC37584
Remote Similarity 0.6667 NPC317400
Remote Similarity 0.6667 NPC98976
Remote Similarity 0.6639 NPC474926
Remote Similarity 0.6638 NPC213
Remote Similarity 0.6638 NPC10286
Remote Similarity 0.6636 NPC143516

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  263.20
ALogP  -2.6397
MLogP  2.67
XLogP  3.639
HDA  4
HBD  3
Rotatable Bonds  12
TPSA  84.63
RO5 Violation  0