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OAKWOOD-ZINC04265687

 MMsINC code: MMs02550541
Type: Neutral
Formula: C9H15NO3
SMILES:   O(C(=O)C1CCCN(C1)C=O)CC
InChI:   InChI=1/C9H15NO3/c1-2-13-9(12)8-4-3-5-10(6-8)7-11/h7-8H,2-6H2,1H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=7.28227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.223 g/mol  logS: -0.59764  SlogP: 0.4179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651029  Sterimol/B1: 2.81524  Sterimol/B2: 3.16194  Sterimol/B3: 3.83127
  Sterimol/B4: 4.70016  Sterimol/L: 12.5198 
 
 Surface and Volume Properties
  Accessible surface: 400.633  Positive charged surface: 307.124  Negative charged surface: 93.5086  Volume: 185.125
  Hydrophobic surface: 286.205  Hydrophilic surface: 114.428
 
 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.