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ENAMINE-ZINC02683947

 MMsINC code: MMs01285551
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-/m0/s1

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Potential Energy
Epot(MMFF94)=30.0007 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: 0.035522  Sterimol/B1: 2.25799  Sterimol/B2: 2.54202  Sterimol/B3: 3.47831
  Sterimol/B4: 5.99931  Sterimol/L: 17.0587 
 
 Surface and Volume Properties
  Accessible surface: 511.168  Positive charged surface: 403.237  Negative charged surface: 107.931  Volume: 252.875
  Hydrophobic surface: 415.483  Hydrophilic surface: 95.685
 
 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.