Drug Information

Drug ID:  NPD5503
Drug Name:  Dithiazanine
Molecular Formula:  C23H23N2S2
Canonical SMILES:  CC[n+]1c(C=CC=CC=c2sc3c(n2CC)cccc3)sc2c1cccc2
Standard InCHI:  InChI=1S/C23H23N2S2/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23/h5-17H,3-4H2,1-2H3/q+1
Standard InCHIKey:  FYXWDSGGZAMYFZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5503

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 0.8741 NPC273714
Intermediate Similarity 0.8417 NPC287895
Intermediate Similarity 0.8333 NPC69277
Intermediate Similarity 0.8143 NPC151779
Intermediate Similarity 0.8054 NPC320863
Intermediate Similarity 0.7987 NPC161108
Intermediate Similarity 0.7353 NPC164228
Remote Similarity 0.6975 NPC148592
Remote Similarity 0.6893 NPC49051
Remote Similarity 0.6872 NPC188104
Remote Similarity 0.6821 NPC476140
Remote Similarity 0.675 NPC88121
Remote Similarity 0.6625 NPC104483
Remote Similarity 0.6604 NPC150259
Remote Similarity 0.6575 NPC143156
Remote Similarity 0.6566 NPC53947
Remote Similarity 0.6527 NPC470823
Remote Similarity 0.6507 NPC473901
Remote Similarity 0.6503 NPC20144
Remote Similarity 0.65 NPC251722
Remote Similarity 0.65 NPC314102
Remote Similarity 0.6485 NPC288838
Remote Similarity 0.6424 NPC285731
Remote Similarity 0.6392 NPC475450
Remote Similarity 0.6387 NPC135488
Remote Similarity 0.638 NPC2949
Remote Similarity 0.638 NPC59084
Remote Similarity 0.6376 NPC476566
Remote Similarity 0.6375 NPC198988
Remote Similarity 0.6369 NPC40070
Remote Similarity 0.6341 NPC63157
Remote Similarity 0.6341 NPC473868
Remote Similarity 0.634 NPC56856
Remote Similarity 0.6337 NPC474791
Remote Similarity 0.6337 NPC474880
Remote Similarity 0.6337 NPC221786
Remote Similarity 0.6337 NPC475990
Remote Similarity 0.6333 NPC81561
Remote Similarity 0.6331 NPC213774
Remote Similarity 0.6331 NPC216713
Remote Similarity 0.6329 NPC22079
Remote Similarity 0.6319 NPC73767
Remote Similarity 0.6319 NPC231655
Remote Similarity 0.6301 NPC229173
Remote Similarity 0.6294 NPC200214
Remote Similarity 0.6294 NPC147810
Remote Similarity 0.6291 NPC54102
Remote Similarity 0.6291 NPC162689
Remote Similarity 0.6282 NPC250361
Remote Similarity 0.628 NPC469768
Remote Similarity 0.628 NPC469761
Remote Similarity 0.628 NPC469783
Remote Similarity 0.628 NPC469780
Remote Similarity 0.628 NPC469784
Remote Similarity 0.628 NPC469767
Remote Similarity 0.628 NPC469779
Remote Similarity 0.6279 NPC216643
Remote Similarity 0.6271 NPC91895
Remote Similarity 0.6271 NPC476103
Remote Similarity 0.6269 NPC173344
Remote Similarity 0.6267 NPC148140
Remote Similarity 0.6266 NPC473587
Remote Similarity 0.6258 NPC122718
Remote Similarity 0.6257 NPC476297
Remote Similarity 0.6257 NPC476219
Remote Similarity 0.625 NPC471957
Remote Similarity 0.625 NPC11863
Remote Similarity 0.6243 NPC135141
Remote Similarity 0.6243 NPC92796
Remote Similarity 0.6242 NPC469766
Remote Similarity 0.6238 NPC149014
Remote Similarity 0.6235 NPC470233
Remote Similarity 0.6235 NPC325252
Remote Similarity 0.6234 NPC41174
Remote Similarity 0.6226 NPC475428
Remote Similarity 0.622 NPC110126
Remote Similarity 0.622 NPC88097
Remote Similarity 0.6209 NPC249662
Remote Similarity 0.6203 NPC473762
Remote Similarity 0.6196 NPC84911
Remote Similarity 0.6194 NPC46358
Remote Similarity 0.6188 NPC179365
Remote Similarity 0.6188 NPC248454
Remote Similarity 0.6185 NPC316910
Remote Similarity 0.6182 NPC238499
Remote Similarity 0.6178 NPC75999
Remote Similarity 0.6176 NPC77022
Remote Similarity 0.6176 NPC33421
Remote Similarity 0.6169 NPC265605
Remote Similarity 0.6169 NPC182570
Remote Similarity 0.6169 NPC48564
Remote Similarity 0.6154 NPC328877
Remote Similarity 0.6154 NPC21605
Remote Similarity 0.6154 NPC470111
Remote Similarity 0.6149 NPC473930
Remote Similarity 0.6146 NPC216221
Remote Similarity 0.6135 NPC96102
Remote Similarity 0.6135 NPC261195
Remote Similarity 0.6135 NPC218268
Remote Similarity 0.6135 NPC29886
Remote Similarity 0.6127 NPC51054
Remote Similarity 0.6105 NPC200743
Remote Similarity 0.6104 NPC215519
Remote Similarity 0.6102 NPC2165
Remote Similarity 0.6102 NPC195507
Remote Similarity 0.6099 NPC475534
Remote Similarity 0.6099 NPC161242
Remote Similarity 0.6099 NPC476080
Remote Similarity 0.6098 NPC105127
Remote Similarity 0.6098 NPC125746
Remote Similarity 0.6089 NPC474897
Remote Similarity 0.6087 NPC82295
Remote Similarity 0.6084 NPC115611
Remote Similarity 0.6066 NPC475330
Remote Similarity 0.6059 NPC179787
Remote Similarity 0.6059 NPC201380
Remote Similarity 0.6057 NPC56765
Remote Similarity 0.6057 NPC318065
Remote Similarity 0.6057 NPC206819
Remote Similarity 0.6054 NPC163055
Remote Similarity 0.6051 NPC476322
Remote Similarity 0.6045 NPC478182
Remote Similarity 0.6045 NPC317105
Remote Similarity 0.6044 NPC280852
Remote Similarity 0.6036 NPC470440
Remote Similarity 0.6036 NPC314372
Remote Similarity 0.6033 NPC25316
Remote Similarity 0.6033 NPC314919
Remote Similarity 0.6033 NPC229160
Remote Similarity 0.6033 NPC174652
Remote Similarity 0.6033 NPC263485
Remote Similarity 0.6029 NPC153467
Remote Similarity 0.6024 NPC32002
Remote Similarity 0.6024 NPC315348
Remote Similarity 0.6024 NPC316811
Remote Similarity 0.6023 NPC255229
Remote Similarity 0.6023 NPC81229
Remote Similarity 0.6023 NPC321911
Remote Similarity 0.6013 NPC240136
Remote Similarity 0.6013 NPC471402
Remote Similarity 0.6013 NPC297486
Remote Similarity 0.6012 NPC190296
Remote Similarity 0.6012 NPC325903
Remote Similarity 0.6 NPC286427
Remote Similarity 0.6 NPC473417
Remote Similarity 0.6 NPC129721
Remote Similarity 0.6 NPC474168
Remote Similarity 0.6 NPC63545
Remote Similarity 0.599 NPC138562
Remote Similarity 0.5989 NPC96016
Remote Similarity 0.5988 NPC279081
Remote Similarity 0.5988 NPC24678
Remote Similarity 0.5988 NPC105818
Remote Similarity 0.5966 NPC6436
Remote Similarity 0.5966 NPC477591
Remote Similarity 0.5966 NPC41257
Remote Similarity 0.5965 NPC469811
Remote Similarity 0.5964 NPC169433
Remote Similarity 0.5963 NPC476131
Remote Similarity 0.5952 NPC277157
Remote Similarity 0.5944 NPC24990
Remote Similarity 0.5941 NPC204141
Remote Similarity 0.5934 NPC477611
Remote Similarity 0.5932 NPC44773
Remote Similarity 0.5932 NPC215584
Remote Similarity 0.593 NPC37548
Remote Similarity 0.593 NPC2272
Remote Similarity 0.5928 NPC312092
Remote Similarity 0.5926 NPC69914
Remote Similarity 0.5922 NPC473886
Remote Similarity 0.592 NPC469765
Remote Similarity 0.592 NPC25008
Remote Similarity 0.592 NPC73952
Remote Similarity 0.592 NPC469760
Remote Similarity 0.592 NPC469786
Remote Similarity 0.592 NPC469763
Remote Similarity 0.592 NPC259644
Remote Similarity 0.592 NPC281094
Remote Similarity 0.5906 NPC478186
Remote Similarity 0.5906 NPC143872
Remote Similarity 0.5903 NPC83987
Remote Similarity 0.5902 NPC469938
Remote Similarity 0.5899 NPC194881
Remote Similarity 0.5894 NPC296163
Remote Similarity 0.5893 NPC230002
Remote Similarity 0.5893 NPC284635
Remote Similarity 0.5889 NPC475920
Remote Similarity 0.5888 NPC469308
Remote Similarity 0.5886 NPC75540
Remote Similarity 0.5886 NPC211572
Remote Similarity 0.5886 NPC70922
Remote Similarity 0.5886 NPC212376
Remote Similarity 0.5886 NPC80597
Remote Similarity 0.5882 NPC242556
Remote Similarity 0.5876 NPC293487
Remote Similarity 0.5872 NPC477134
Remote Similarity 0.5871 NPC91958
Remote Similarity 0.5867 NPC27802
Remote Similarity 0.5866 NPC8104
Remote Similarity 0.5866 NPC90723

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  391.13
ALogP  1.8686
MLogP  3.55
XLogP  7.264
HDA  1
HBD  0
Rotatable Bonds  7
TPSA  60.66
RO5 Violation  1