Drug Information

Drug ID:  NPD703
Drug Name:  HN-10200
Molecular Formula:  C12H11N3O2S2
Canonical SMILES:  COc1cc(sc1c1nc2c([nH]1)cncc2)S(=O)C
Standard InCHI:  InChI=1S/C12H11N3O2S2/c1-17-9-5-10(19(2)16)18-11(9)12-14-7-3-4-13-6-8(7)15-12/h3-6H,1-2H3,(H,14,15)
Standard InCHIKey:  OPVNYEWQDOJEHB-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD703

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 0.7101 NPC316756
Intermediate Similarity 0.7097 NPC469308
Remote Similarity 0.6869 NPC134079
Remote Similarity 0.6795 NPC153467
Remote Similarity 0.6776 NPC206251
Remote Similarity 0.6776 NPC74382
Remote Similarity 0.6731 NPC314557
Remote Similarity 0.6667 NPC315715
Remote Similarity 0.6667 NPC224327
Remote Similarity 0.658 NPC50511
Remote Similarity 0.6571 NPC39092
Remote Similarity 0.6496 NPC150447
Remote Similarity 0.6422 NPC471603
Remote Similarity 0.6406 NPC41982
Remote Similarity 0.64 NPC187558
Remote Similarity 0.6372 NPC121772
Remote Similarity 0.6323 NPC84853
Remote Similarity 0.6316 NPC253687
Remote Similarity 0.6308 NPC317054
Remote Similarity 0.63 NPC19872
Remote Similarity 0.6292 NPC130570
Remote Similarity 0.6272 NPC232727
Remote Similarity 0.6267 NPC164228
Remote Similarity 0.6244 NPC476518
Remote Similarity 0.6232 NPC120070
Remote Similarity 0.6215 NPC121658
Remote Similarity 0.6215 NPC14651
Remote Similarity 0.6212 NPC216159
Remote Similarity 0.6204 NPC160666
Remote Similarity 0.6188 NPC42483
Remote Similarity 0.6164 NPC161887
Remote Similarity 0.6157 NPC176538
Remote Similarity 0.6128 NPC123976
Remote Similarity 0.6128 NPC167860
Remote Similarity 0.612 NPC30540
Remote Similarity 0.6111 NPC116555
Remote Similarity 0.6111 NPC111624
Remote Similarity 0.6082 NPC107160
Remote Similarity 0.6082 NPC187145
Remote Similarity 0.6059 NPC197068
Remote Similarity 0.6045 NPC168486
Remote Similarity 0.6045 NPC222592
Remote Similarity 0.6042 NPC267811
Remote Similarity 0.6018 NPC266551
Remote Similarity 0.6018 NPC219963
Remote Similarity 0.6009 NPC245816
Remote Similarity 0.6009 NPC476138
Remote Similarity 0.6008 NPC21461
Remote Similarity 0.5992 NPC314954
Remote Similarity 0.5992 NPC193267
Remote Similarity 0.5992 NPC213530
Remote Similarity 0.5968 NPC115595
Remote Similarity 0.5962 NPC282531
Remote Similarity 0.5962 NPC470204
Remote Similarity 0.5957 NPC267928
Remote Similarity 0.5949 NPC185782
Remote Similarity 0.5943 NPC310118
Remote Similarity 0.5938 NPC20249
Remote Similarity 0.5935 NPC470203
Remote Similarity 0.5929 NPC472289
Remote Similarity 0.5926 NPC250178
Remote Similarity 0.5924 NPC113369
Remote Similarity 0.5913 NPC114209
Remote Similarity 0.59 NPC242923
Remote Similarity 0.5894 NPC63109
Remote Similarity 0.5893 NPC284678
Remote Similarity 0.5878 NPC60621
Remote Similarity 0.5875 NPC26679
Remote Similarity 0.5859 NPC171393
Remote Similarity 0.5859 NPC295452
Remote Similarity 0.5857 NPC101543
Remote Similarity 0.5857 NPC469554
Remote Similarity 0.5851 NPC282247
Remote Similarity 0.5847 NPC285558
Remote Similarity 0.5841 NPC300238
Remote Similarity 0.584 NPC476465
Remote Similarity 0.5833 NPC104049
Remote Similarity 0.5833 NPC317105
Remote Similarity 0.583 NPC315126
Remote Similarity 0.583 NPC122436
Remote Similarity 0.583 NPC314774
Remote Similarity 0.583 NPC324815
Remote Similarity 0.5823 NPC110151
Remote Similarity 0.5814 NPC122141
Remote Similarity 0.5802 NPC8022
Remote Similarity 0.5802 NPC470799
Remote Similarity 0.5789 NPC296527
Remote Similarity 0.5785 NPC476287
Remote Similarity 0.5776 NPC13880
Remote Similarity 0.5765 NPC235685
Remote Similarity 0.5764 NPC76748
Remote Similarity 0.5762 NPC179787
Remote Similarity 0.5762 NPC201380
Remote Similarity 0.5758 NPC307963
Remote Similarity 0.5758 NPC226202
Remote Similarity 0.5754 NPC470323
Remote Similarity 0.5742 NPC101350
Remote Similarity 0.5741 NPC25899
Remote Similarity 0.5739 NPC92111
Remote Similarity 0.5738 NPC103388
Remote Similarity 0.5735 NPC321911
Remote Similarity 0.5732 NPC308906
Remote Similarity 0.5731 NPC935
Remote Similarity 0.5731 NPC267078
Remote Similarity 0.5714 NPC63545
Remote Similarity 0.5709 NPC474357
Remote Similarity 0.5708 NPC287208
Remote Similarity 0.5702 NPC18487
Remote Similarity 0.5701 NPC477815
Remote Similarity 0.5692 NPC260434
Remote Similarity 0.5687 NPC469811
Remote Similarity 0.5685 NPC174758
Remote Similarity 0.5685 NPC174672
Remote Similarity 0.5681 NPC470823
Remote Similarity 0.5678 NPC315957
Remote Similarity 0.5673 NPC170114
Remote Similarity 0.567 NPC240088
Remote Similarity 0.567 NPC473380
Remote Similarity 0.5668 NPC292958
Remote Similarity 0.5665 NPC472031
Remote Similarity 0.5665 NPC472066
Remote Similarity 0.5665 NPC472067
Remote Similarity 0.565 NPC173344
Remote Similarity 0.5648 NPC236711
Remote Similarity 0.5647 NPC324149
Remote Similarity 0.5646 NPC320863
Remote Similarity 0.5645 NPC77022
Remote Similarity 0.5644 NPC265710
Remote Similarity 0.5642 NPC48192
Remote Similarity 0.5641 NPC251090
Remote Similarity 0.5636 NPC49217
Remote Similarity 0.5634 NPC74619
Remote Similarity 0.5633 NPC470549
Remote Similarity 0.5628 NPC149014
Remote Similarity 0.5622 NPC17305
Remote Similarity 0.5622 NPC216221
Remote Similarity 0.5619 NPC16659
Remote Similarity 0.5619 NPC314281
Remote Similarity 0.5619 NPC40530
Remote Similarity 0.5616 NPC77101
Remote Similarity 0.5613 NPC315822
Remote Similarity 0.5607 NPC216713

Drug Structure

External Identifiers

TTD   DIB005455
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  293.03
ALogP  -0.3005
MLogP  2.01
XLogP  -0.102
HDA  4
HBD  1
Rotatable Bonds  5
TPSA  115.32
RO5 Violation  0