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ENAMINE-ZINC02683948

 MMsINC code: MMs01285552
Type: Neutral
Formula: C13H23NO3
SMILES:   O(C(=O)C(NC(=O)CCC1CCCCC1)C)C
InChI:   InChI=1/C13H23NO3/c1-10(13(16)17-2)14-12(15)9-8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,15)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=30.0254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.331 g/mol  logS: -3.6969  SlogP: 2.0246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0605681  Sterimol/B1: 2.14095  Sterimol/B2: 2.45956  Sterimol/B3: 4.67085
  Sterimol/B4: 4.80123  Sterimol/L: 17.247 
 
 Surface and Volume Properties
  Accessible surface: 510.055  Positive charged surface: 401.912  Negative charged surface: 108.143  Volume: 253.375
  Hydrophobic surface: 413.317  Hydrophilic surface: 96.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.