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PUBCHEM-ZINC06891632

 MMsINC code: MMs03892495
Type: Neutral
Formula: C10H17NO3
SMILES:   O(C(=O)C(=O)N1CCCCC1C)CC
InChI:   InChI=1/C10H17NO3/c1-3-14-10(13)9(12)11-7-5-4-6-8(11)2/h8H,3-7H2,1-2H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=90.768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.25 g/mol  logS: -1.47386  SlogP: 0.9505  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653279  Sterimol/B1: 2.76004  Sterimol/B2: 3.51573  Sterimol/B3: 4.16762
  Sterimol/B4: 4.71178  Sterimol/L: 12.9818 
 
 Surface and Volume Properties
  Accessible surface: 417.172  Positive charged surface: 317.875  Negative charged surface: 99.2972  Volume: 197.75
  Hydrophobic surface: 318.306  Hydrophilic surface: 98.866
 
 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.