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PUBCHEM-ZINC06592735

 MMsINC code: MMs03811412
Type: Neutral
Formula: C10H21NO3
SMILES:   OC(C(CCCC)C)C(NC)C(O)=O
InChI:   InChI=1/C10H21NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h7-9,11-12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1

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Potential Energy
Epot(MMFF94)=42.7227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.282 g/mol  logS: -1.42719  SlogP: 0.8462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0992061  Sterimol/B1: 3.12346  Sterimol/B2: 3.6701  Sterimol/B3: 4.0406
  Sterimol/B4: 4.35607  Sterimol/L: 13.5645 
 
 Surface and Volume Properties
  Accessible surface: 437.161  Positive charged surface: 327.503  Negative charged surface: 109.658  Volume: 214.75
  Hydrophobic surface: 271.839  Hydrophilic surface: 165.322
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.