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CHEMDIV-ZINC00241764

 MMsINC code: MMs00845380
Type: Neutral
Formula: C15H10ClNO3S
SMILES:   Clc1cc2OC(=S)N(c2cc1)C(Oc1cc(ccc1)C)=O
InChI:   InChI=1/C15H10ClNO3S/c1-9-3-2-4-11(7-9)19-14(18)17-12-6-5-10(16)8-13(12)20-15(17)21/h2-8H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.2024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.768 g/mol  logS: -6.71432  SlogP: 4.33112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073331  Sterimol/B1: 2.39727  Sterimol/B2: 2.94609  Sterimol/B3: 4.58282
  Sterimol/B4: 7.20921  Sterimol/L: 15.946 
 
 Surface and Volume Properties
  Accessible surface: 526.909  Positive charged surface: 226.503  Negative charged surface: 300.406  Volume: 271.625
  Hydrophobic surface: 414.784  Hydrophilic surface: 112.125
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.