Drug Information

Drug ID:  NPD4046
Drug Name:  Propiomazine
Molecular Formula:  C20H24N2OS
Canonical SMILES:  CCC(=O)c1ccc2c(c1)N(CC(N(C)C)C)c1c(S2)cccc1
Standard InCHI:  InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3
Standard InCHIKey:  UVOIBTBFPOZKGP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD4046

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 0.7958 NPC473417
Intermediate Similarity 0.7626 NPC226143
Intermediate Similarity 0.7518 NPC257490
Intermediate Similarity 0.7376 NPC291962
Intermediate Similarity 0.7376 NPC177684
Intermediate Similarity 0.7324 NPC258531
Intermediate Similarity 0.7324 NPC161956
Intermediate Similarity 0.7324 NPC112373
Intermediate Similarity 0.7222 NPC268534
Intermediate Similarity 0.709 NPC471741
Remote Similarity 0.6966 NPC179605
Remote Similarity 0.6966 NPC279385
Remote Similarity 0.6918 NPC103292
Remote Similarity 0.6892 NPC192533
Remote Similarity 0.6889 NPC291610
Remote Similarity 0.6871 NPC39818
Remote Similarity 0.6861 NPC167336
Remote Similarity 0.6855 NPC470822
Remote Similarity 0.6846 NPC472244
Remote Similarity 0.6846 NPC470343
Remote Similarity 0.6831 NPC57051
Remote Similarity 0.6821 NPC150863
Remote Similarity 0.6776 NPC472245
Remote Similarity 0.6776 NPC280807
Remote Similarity 0.6776 NPC314431
Remote Similarity 0.6774 NPC300299
Remote Similarity 0.6772 NPC471574
Remote Similarity 0.6711 NPC209389
Remote Similarity 0.671 NPC162417
Remote Similarity 0.671 NPC316104
Remote Similarity 0.6687 NPC478040
Remote Similarity 0.6667 NPC328877
Remote Similarity 0.6667 NPC471164
Remote Similarity 0.6646 NPC136002
Remote Similarity 0.6629 NPC471743
Remote Similarity 0.6581 NPC53044
Remote Similarity 0.6552 NPC318183
Remote Similarity 0.6538 NPC130655
Remote Similarity 0.6536 NPC470317
Remote Similarity 0.6494 NPC472118
Remote Similarity 0.6485 NPC321617
Remote Similarity 0.6467 NPC117032
Remote Similarity 0.6463 NPC478039
Remote Similarity 0.6452 NPC187231
Remote Similarity 0.6438 NPC83214
Remote Similarity 0.6438 NPC469560
Remote Similarity 0.6433 NPC27904
Remote Similarity 0.6408 NPC172170
Remote Similarity 0.6402 NPC313850
Remote Similarity 0.6398 NPC207554
Remote Similarity 0.6398 NPC472243
Remote Similarity 0.6383 NPC473418
Remote Similarity 0.6382 NPC254698
Remote Similarity 0.6358 NPC470301
Remote Similarity 0.6347 NPC144691
Remote Similarity 0.6324 NPC313293
Remote Similarity 0.6312 NPC471123
Remote Similarity 0.6301 NPC469741
Remote Similarity 0.6296 NPC315051
Remote Similarity 0.6291 NPC27833
Remote Similarity 0.627 NPC255909
Remote Similarity 0.6264 NPC271797
Remote Similarity 0.6264 NPC21174
Remote Similarity 0.6258 NPC2823
Remote Similarity 0.625 NPC475915
Remote Similarity 0.6243 NPC73994
Remote Similarity 0.6242 NPC314186
Remote Similarity 0.622 NPC472241
Remote Similarity 0.6213 NPC66936
Remote Similarity 0.6207 NPC199737
Remote Similarity 0.6196 NPC130251
Remote Similarity 0.6194 NPC79698
Remote Similarity 0.6183 NPC103119
Remote Similarity 0.6175 NPC470205
Remote Similarity 0.6171 NPC204867
Remote Similarity 0.6139 NPC194562
Remote Similarity 0.6139 NPC477432
Remote Similarity 0.6127 NPC113946
Remote Similarity 0.6115 NPC476950
Remote Similarity 0.6114 NPC194881
Remote Similarity 0.6108 NPC472242
Remote Similarity 0.6102 NPC182131
Remote Similarity 0.6102 NPC214960
Remote Similarity 0.6102 NPC279527
Remote Similarity 0.6101 NPC314098
Remote Similarity 0.6093 NPC192209
Remote Similarity 0.6092 NPC276085
Remote Similarity 0.6089 NPC292265
Remote Similarity 0.608 NPC265100
Remote Similarity 0.6069 NPC29285
Remote Similarity 0.6067 NPC475248
Remote Similarity 0.6067 NPC70949
Remote Similarity 0.6067 NPC63047
Remote Similarity 0.6062 NPC207428
Remote Similarity 0.6062 NPC473962
Remote Similarity 0.6059 NPC473329
Remote Similarity 0.6057 NPC474058
Remote Similarity 0.6057 NPC93653
Remote Similarity 0.6054 NPC471742
Remote Similarity 0.6051 NPC322433
Remote Similarity 0.6047 NPC295021
Remote Similarity 0.6047 NPC478076
Remote Similarity 0.6045 NPC471130
Remote Similarity 0.6044 NPC237188
Remote Similarity 0.6044 NPC83774
Remote Similarity 0.604 NPC296163
Remote Similarity 0.6034 NPC222029
Remote Similarity 0.6026 NPC285394
Remote Similarity 0.6022 NPC470548
Remote Similarity 0.6022 NPC133003
Remote Similarity 0.6011 NPC475094
Remote Similarity 0.6 NPC154478
Remote Similarity 0.6 NPC474814
Remote Similarity 0.6 NPC126458
Remote Similarity 0.6 NPC300596
Remote Similarity 0.6 NPC272458
Remote Similarity 0.6 NPC243058
Remote Similarity 0.6 NPC112336
Remote Similarity 0.6 NPC237649
Remote Similarity 0.6 NPC80681
Remote Similarity 0.5989 NPC135601
Remote Similarity 0.5989 NPC138293
Remote Similarity 0.5989 NPC113056
Remote Similarity 0.5989 NPC141612
Remote Similarity 0.5989 NPC328270
Remote Similarity 0.5989 NPC17273
Remote Similarity 0.5988 NPC308197
Remote Similarity 0.5987 NPC313449
Remote Similarity 0.5979 NPC324091
Remote Similarity 0.5978 NPC473484
Remote Similarity 0.5978 NPC61011
Remote Similarity 0.5977 NPC84317
Remote Similarity 0.5968 NPC203635
Remote Similarity 0.5967 NPC96901
Remote Similarity 0.5964 NPC186284
Remote Similarity 0.5964 NPC301760
Remote Similarity 0.5964 NPC22082
Remote Similarity 0.5959 NPC79618
Remote Similarity 0.5959 NPC434
Remote Similarity 0.5956 NPC157583
Remote Similarity 0.5955 NPC299582
Remote Similarity 0.5948 NPC220698
Remote Similarity 0.5943 NPC477887
Remote Similarity 0.5943 NPC61013
Remote Similarity 0.5934 NPC469529
Remote Similarity 0.5933 NPC187036
Remote Similarity 0.5932 NPC472120
Remote Similarity 0.5932 NPC472101
Remote Similarity 0.5932 NPC253667
Remote Similarity 0.5932 NPC35510
Remote Similarity 0.5932 NPC472117
Remote Similarity 0.5932 NPC88970
Remote Similarity 0.5918 NPC302790
Remote Similarity 0.5915 NPC75496
Remote Similarity 0.5912 NPC72473
Remote Similarity 0.5912 NPC307437
Remote Similarity 0.5912 NPC58827
Remote Similarity 0.5912 NPC355
Remote Similarity 0.5912 NPC471648
Remote Similarity 0.5909 NPC193410
Remote Similarity 0.5909 NPC36495
Remote Similarity 0.5907 NPC472116
Remote Similarity 0.5906 NPC109787
Remote Similarity 0.5906 NPC242000
Remote Similarity 0.5906 NPC181390
Remote Similarity 0.5904 NPC90415
Remote Similarity 0.5901 NPC316746
Remote Similarity 0.5899 NPC189116
Remote Similarity 0.5899 NPC246757
Remote Similarity 0.5899 NPC291070
Remote Similarity 0.5896 NPC70406
Remote Similarity 0.5893 NPC469537
Remote Similarity 0.5893 NPC88121
Remote Similarity 0.589 NPC253476
Remote Similarity 0.5889 NPC167724
Remote Similarity 0.5889 NPC224970
Remote Similarity 0.5889 NPC223595
Remote Similarity 0.5882 NPC258480
Remote Similarity 0.5882 NPC21429
Remote Similarity 0.5882 NPC46895
Remote Similarity 0.5879 NPC122553
Remote Similarity 0.5879 NPC252572
Remote Similarity 0.5876 NPC248117
Remote Similarity 0.5876 NPC472102
Remote Similarity 0.5876 NPC225319
Remote Similarity 0.5876 NPC309531
Remote Similarity 0.5875 NPC328590
Remote Similarity 0.5871 NPC302169
Remote Similarity 0.587 NPC14849
Remote Similarity 0.587 NPC234987
Remote Similarity 0.587 NPC470926
Remote Similarity 0.5868 NPC316202
Remote Similarity 0.5866 NPC472106
Remote Similarity 0.5862 NPC38262
Remote Similarity 0.5862 NPC251391
Remote Similarity 0.5856 NPC91895
Remote Similarity 0.5855 NPC288232
Remote Similarity 0.5854 NPC173295
Remote Similarity 0.5852 NPC104345
Remote Similarity 0.585 NPC55529

Drug Structure

External Identifiers

TTD   DAP000327
DrugBank   DB00777
ChEMBL   CHEMBL1201210
IUPHAR/BPS   7284
PharmaGKB   PA164778685
KEGG Drug   D02361
PubChem CID   4940
ChEBI   8491
CAS Number  362-29-8

Drug Properties

Molecular Weight  340.16
ALogP  0.6564
MLogP  3.22
XLogP  4.218
HDA  3
HBD  0
Rotatable Bonds  9
TPSA  48.85
RO5 Violation  0