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NCID-ZINC01687993

 MMsINC code: MMs02320615
Type: Neutral
Formula: C10H15NO4
SMILES:   O=C1N(CC(OCCCC)=O)C(=O)CC1
InChI:   InChI=1/C10H15NO4/c1-2-3-6-15-10(14)7-11-8(12)4-5-9(11)13/h2-7H2,1H3

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Potential Energy
Epot(MMFF94)=-2.7622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.233 g/mol  logS: -1.40948  SlogP: 0.4787  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0561241  Sterimol/B1: 3.05865  Sterimol/B2: 3.39408  Sterimol/B3: 3.98961
  Sterimol/B4: 4.00401  Sterimol/L: 15.0933 
 
 Surface and Volume Properties
  Accessible surface: 447.384  Positive charged surface: 306.707  Negative charged surface: 140.677  Volume: 204.625
  Hydrophobic surface: 300.828  Hydrophilic surface: 146.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.