Drug Information

Drug ID:  NPD1789
Drug Name:  Diamthazole
Molecular Formula:  C15H23N3OS
Canonical SMILES:  CCN(CCOc1ccc2c(c1)sc(n2)N(C)C)CC
Standard InCHI:  InChI=1S/C15H23N3OS/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4/h7-8,11H,5-6,9-10H2,1-4H3
Standard InCHIKey:  WGMYEOIMVYADRJ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1789

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 0.7449 NPC188104
Remote Similarity 0.675 NPC168486
Remote Similarity 0.675 NPC222592
Remote Similarity 0.6732 NPC134079
Remote Similarity 0.6667 NPC249662
Remote Similarity 0.6648 NPC273714
Remote Similarity 0.6634 NPC74382
Remote Similarity 0.6634 NPC206251
Remote Similarity 0.6602 NPC224327
Remote Similarity 0.6593 NPC153467
Remote Similarity 0.6553 NPC316756
Remote Similarity 0.6517 NPC151779
Remote Similarity 0.6463 NPC315822
Remote Similarity 0.6444 NPC287895
Remote Similarity 0.6429 NPC285635
Remote Similarity 0.639 NPC118776
Remote Similarity 0.6381 NPC92111
Remote Similarity 0.6369 NPC69277
Remote Similarity 0.6359 NPC176127
Remote Similarity 0.6352 NPC470889
Remote Similarity 0.634 NPC26872
Remote Similarity 0.6333 NPC76748
Remote Similarity 0.6316 NPC238242
Remote Similarity 0.6313 NPC177404
Remote Similarity 0.6286 NPC296527
Remote Similarity 0.6281 NPC118511
Remote Similarity 0.6276 NPC315257
Remote Similarity 0.6269 NPC1527
Remote Similarity 0.6244 NPC307963
Remote Similarity 0.6244 NPC476465
Remote Similarity 0.6238 NPC476518
Remote Similarity 0.6232 NPC219963
Remote Similarity 0.6209 NPC110741
Remote Similarity 0.6207 NPC121658
Remote Similarity 0.6207 NPC14651
Remote Similarity 0.6207 NPC258773
Remote Similarity 0.6176 NPC111624
Remote Similarity 0.6168 NPC84853
Remote Similarity 0.6167 NPC39092
Remote Similarity 0.6162 NPC26850
Remote Similarity 0.6157 NPC267928
Remote Similarity 0.6154 NPC161887
Remote Similarity 0.6154 NPC472111
Remote Similarity 0.6154 NPC266551
Remote Similarity 0.6147 NPC329793
Remote Similarity 0.6143 NPC20249
Remote Similarity 0.6137 NPC187145
Remote Similarity 0.6111 NPC251090
Remote Similarity 0.6095 NPC84478
Remote Similarity 0.6087 NPC283152
Remote Similarity 0.6073 NPC19872
Remote Similarity 0.6073 NPC121772
Remote Similarity 0.6063 NPC475774
Remote Similarity 0.6036 NPC165349
Remote Similarity 0.6036 NPC118832
Remote Similarity 0.6036 NPC47059
Remote Similarity 0.6036 NPC264166
Remote Similarity 0.6036 NPC274291
Remote Similarity 0.6036 NPC329708
Remote Similarity 0.6028 NPC471593
Remote Similarity 0.6027 NPC187558
Remote Similarity 0.6019 NPC226202
Remote Similarity 0.601 NPC161108
Remote Similarity 0.601 NPC320863
Remote Similarity 0.6009 NPC66083
Remote Similarity 0.6 NPC469589
Remote Similarity 0.6 NPC176538
Remote Similarity 0.5992 NPC56271
Remote Similarity 0.5991 NPC472098
Remote Similarity 0.5981 NPC242928
Remote Similarity 0.5963 NPC13880
Remote Similarity 0.5956 NPC287208
Remote Similarity 0.5955 NPC18487
Remote Similarity 0.5947 NPC242923
Remote Similarity 0.5945 NPC79293
Remote Similarity 0.5945 NPC279401
Remote Similarity 0.5928 NPC470394
Remote Similarity 0.5928 NPC329747
Remote Similarity 0.5928 NPC470404
Remote Similarity 0.5928 NPC470403
Remote Similarity 0.5924 NPC474798
Remote Similarity 0.5924 NPC160666
Remote Similarity 0.5921 NPC94157
Remote Similarity 0.5919 NPC245816
Remote Similarity 0.5919 NPC476138
Remote Similarity 0.5919 NPC162484
Remote Similarity 0.5913 NPC312872
Remote Similarity 0.5909 NPC30540
Remote Similarity 0.5903 NPC471304
Remote Similarity 0.5895 NPC471080
Remote Similarity 0.5895 NPC469592
Remote Similarity 0.5894 NPC85482
Remote Similarity 0.5894 NPC476686
Remote Similarity 0.5894 NPC105758
Remote Similarity 0.5894 NPC476688
Remote Similarity 0.5893 NPC257511
Remote Similarity 0.5885 NPC286195
Remote Similarity 0.5885 NPC471614
Remote Similarity 0.5885 NPC288943
Remote Similarity 0.5885 NPC82548
Remote Similarity 0.5878 NPC477806
Remote Similarity 0.5878 NPC477795
Remote Similarity 0.5878 NPC477805
Remote Similarity 0.5878 NPC477796
Remote Similarity 0.5874 NPC278874
Remote Similarity 0.5867 NPC471736
Remote Similarity 0.5867 NPC470395
Remote Similarity 0.5859 NPC475350
Remote Similarity 0.5859 NPC14877
Remote Similarity 0.5859 NPC145178
Remote Similarity 0.5857 NPC211997
Remote Similarity 0.5856 NPC315957
Remote Similarity 0.5851 NPC24802
Remote Similarity 0.5845 NPC131017
Remote Similarity 0.5844 NPC288349
Remote Similarity 0.5841 NPC42591
Remote Similarity 0.5837 NPC72211
Remote Similarity 0.5833 NPC472289
Remote Similarity 0.5833 NPC230942
Remote Similarity 0.5833 NPC315498
Remote Similarity 0.5826 NPC476287
Remote Similarity 0.5818 NPC70259
Remote Similarity 0.5815 NPC475910
Remote Similarity 0.5814 NPC171171
Remote Similarity 0.5814 NPC204385
Remote Similarity 0.5812 NPC472099
Remote Similarity 0.5812 NPC132642
Remote Similarity 0.5811 NPC128823
Remote Similarity 0.5811 NPC220408
Remote Similarity 0.581 NPC134586
Remote Similarity 0.5808 NPC208284
Remote Similarity 0.5804 NPC295898
Remote Similarity 0.5801 NPC50511
Remote Similarity 0.5799 NPC475190
Remote Similarity 0.5796 NPC475841
Remote Similarity 0.5796 NPC474145
Remote Similarity 0.5794 NPC469594
Remote Similarity 0.5783 NPC26679
Remote Similarity 0.5783 NPC264176
Remote Similarity 0.5783 NPC251036
Remote Similarity 0.5778 NPC223427
Remote Similarity 0.5775 NPC206201
Remote Similarity 0.5775 NPC144114
Remote Similarity 0.5773 NPC205934
Remote Similarity 0.5773 NPC280638
Remote Similarity 0.5773 NPC43787
Remote Similarity 0.5771 NPC36168
Remote Similarity 0.5769 NPC308906
Remote Similarity 0.5769 NPC164664
Remote Similarity 0.576 NPC230805
Remote Similarity 0.5759 NPC232727
Remote Similarity 0.5759 NPC470586
Remote Similarity 0.5758 NPC220523
Remote Similarity 0.5758 NPC266931
Remote Similarity 0.5758 NPC478074
Remote Similarity 0.5756 NPC224632
Remote Similarity 0.5752 NPC285558
Remote Similarity 0.5746 NPC308392
Remote Similarity 0.5744 NPC476462
Remote Similarity 0.574 NPC287437
Remote Similarity 0.5739 NPC146418
Remote Similarity 0.5733 NPC50562
Remote Similarity 0.5732 NPC157931
Remote Similarity 0.5732 NPC257851
Remote Similarity 0.573 NPC264782
Remote Similarity 0.5726 NPC475253
Remote Similarity 0.5726 NPC96321
Remote Similarity 0.5721 NPC284348
Remote Similarity 0.5721 NPC185782
Remote Similarity 0.5721 NPC201697
Remote Similarity 0.5721 NPC174672
Remote Similarity 0.5721 NPC204717
Remote Similarity 0.5721 NPC62069
Remote Similarity 0.5721 NPC24990
Remote Similarity 0.5714 NPC316981
Remote Similarity 0.5714 NPC471615
Remote Similarity 0.5714 NPC208060
Remote Similarity 0.5714 NPC11017
Remote Similarity 0.5714 NPC314557
Remote Similarity 0.5708 NPC148183
Remote Similarity 0.5708 NPC152768
Remote Similarity 0.5708 NPC67658
Remote Similarity 0.5707 NPC25899
Remote Similarity 0.5703 NPC41982
Remote Similarity 0.5702 NPC321428
Remote Similarity 0.5701 NPC477891
Remote Similarity 0.5697 NPC472067
Remote Similarity 0.5697 NPC472031
Remote Similarity 0.5697 NPC472066
Remote Similarity 0.5694 NPC314002
Remote Similarity 0.5685 NPC260601
Remote Similarity 0.5683 NPC470930
Remote Similarity 0.5682 NPC195268
Remote Similarity 0.5682 NPC133140
Remote Similarity 0.5681 NPC472168
Remote Similarity 0.568 NPC472068
Remote Similarity 0.5679 NPC180504
Remote Similarity 0.5678 NPC477533
Remote Similarity 0.5674 NPC220765
Remote Similarity 0.567 NPC476582

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  293.16
ALogP  1.3961
MLogP  2.56
XLogP  2.494
HDA  3
HBD  0
Rotatable Bonds  11
TPSA  56.84
RO5 Violation  0