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PUBCHEM-ZINC06863488

 MMsINC code: MMs03881726
Type: Neutral
Formula: C15H20N2O4S
SMILES:   s1cccc1C(=O)C(=O)NC(C(=O)NC1CCCCC1)CO
InChI:   InChI=1/C15H20N2O4S/c18-9-11(14(20)16-10-5-2-1-3-6-10)17-15(21)13(19)12-7-4-8-22-12/h4,7-8,10-11,18H,1-3,5-6,9H2,(H,16,20)(H,17,21)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=69.089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.401 g/mol  logS: -3.1102  SlogP: 0.8568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0461444  Sterimol/B1: 3.42536  Sterimol/B2: 3.61988  Sterimol/B3: 3.62496
  Sterimol/B4: 5.79846  Sterimol/L: 18.344 
 
 Surface and Volume Properties
  Accessible surface: 575.327  Positive charged surface: 361.193  Negative charged surface: 214.134  Volume: 297
  Hydrophobic surface: 428.796  Hydrophilic surface: 146.531
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.