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IBS-ZINC00537400

 MMsINC code: MMs01749949
Type: Neutral
Formula: C9H16N2O3
SMILES:   O(C(=O)C(NC(=O)N1CCCC1)C)C
InChI:   InChI=1/C9H16N2O3/c1-7(8(12)14-2)10-9(13)11-5-3-4-6-11/h7H,3-6H2,1-2H3,(H,10,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=8.01551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: -0.7861  SlogP: 0.3533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0712652  Sterimol/B1: 2.26061  Sterimol/B2: 2.42258  Sterimol/B3: 4.28527
  Sterimol/B4: 5.2108  Sterimol/L: 14.1911 
 
 Surface and Volume Properties
  Accessible surface: 431.25  Positive charged surface: 339.55  Negative charged surface: 91.6994  Volume: 197.75
  Hydrophobic surface: 338.501  Hydrophilic surface: 92.749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.