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VITASM-ZINC04704321

 MMsINC code: MMs03958881
Type: Neutral
Formula: C9H16N2O4
SMILES:   O(CC(=O)N1CCN(CC1)C)CC(O)=O
InChI:   InChI=1/C9H16N2O4/c1-10-2-4-11(5-3-10)8(12)6-15-7-9(13)14/h2-7H2,1H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=62.0639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.237 g/mol  logS: 0.15767  SlogP: -1.1384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.051557  Sterimol/B1: 2.55469  Sterimol/B2: 3.00567  Sterimol/B3: 3.98532
  Sterimol/B4: 4.68428  Sterimol/L: 15.3611 
 
 Surface and Volume Properties
  Accessible surface: 441.168  Positive charged surface: 353.756  Negative charged surface: 87.4119  Volume: 202.75
  Hydrophobic surface: 289.523  Hydrophilic surface: 151.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.