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IBS-ZINC00542561

 MMsINC code: MMs01751324
Type: Neutral
Formula: C11H20N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CC1)C(CC)C)C
InChI:   InChI=1/C11H20N2O3/c1-4-7(2)9(10(14)16-3)13-11(15)12-8-5-6-8/h7-9H,4-6H2,1-3H3,(H2,12,13,15)/t7-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=26.0032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.81085  SlogP: 1.0357  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.104097  Sterimol/B1: 2.08907  Sterimol/B2: 2.4947  Sterimol/B3: 4.76945
  Sterimol/B4: 7.74821  Sterimol/L: 13.8244 
 
 Surface and Volume Properties
  Accessible surface: 481.697  Positive charged surface: 349.409  Negative charged surface: 132.287  Volume: 234.75
  Hydrophobic surface: 311.125  Hydrophilic surface: 170.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.