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CHEMDIV-ZINC00201248

 MMsINC code: MMs00838511
Type: Neutral
Formula: C17H18N2O3S
SMILES:   s1cccc1CNC(=O)c1ccc(NC(=O)C2OCCC2)cc1
InChI:   InChI=1/C17H18N2O3S/c20-16(18-11-14-3-2-10-23-14)12-5-7-13(8-6-12)19-17(21)15-4-1-9-22-15/h2-3,5-8,10,15H,1,4,9,11H2,(H,18,20)(H,19,21)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=73.8111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.408 g/mol  logS: -4.00269  SlogP: 3.062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327732  Sterimol/B1: 2.32032  Sterimol/B2: 3.04762  Sterimol/B3: 4.16201
  Sterimol/B4: 7.24326  Sterimol/L: 18.1432 
 
 Surface and Volume Properties
  Accessible surface: 595.657  Positive charged surface: 354.642  Negative charged surface: 241.015  Volume: 305.625
  Hydrophobic surface: 493.058  Hydrophilic surface: 102.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.