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NCID-ZINC04962251

 MMsINC code: MMs02418919
Type: Neutral
Formula: C10H16O3
SMILES:   O=C1CCCCCC1C(OCC)=O
InChI:   InChI=1/C10H16O3/c1-2-13-10(12)8-6-4-3-5-7-9(8)11/h8H,2-7H2,1H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=20.8911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.235 g/mol  logS: -1.87849  SlogP: 1.6989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0774694  Sterimol/B1: 2.73477  Sterimol/B2: 3.29631  Sterimol/B3: 3.65948
  Sterimol/B4: 4.65624  Sterimol/L: 12.8057 
 
 Surface and Volume Properties
  Accessible surface: 395.061  Positive charged surface: 282.648  Negative charged surface: 112.413  Volume: 186.375
  Hydrophobic surface: 313.071  Hydrophilic surface: 81.99
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.