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ENAMINE-ZINC01563625

 MMsINC code: MMs01242702
Type: Neutral
Formula: C10H19NO3
SMILES:   O(C(=O)C(NC(=O)C)CC(C)C)CC
InChI:   InChI=1/C10H19NO3/c1-5-14-10(13)9(6-7(2)3)11-8(4)12/h7,9H,5-6H2,1-4H3,(H,11,12)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=43.1609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -2.06527  SlogP: 1.1003  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138646  Sterimol/B1: 3.44764  Sterimol/B2: 3.47692  Sterimol/B3: 3.77873
  Sterimol/B4: 6.24216  Sterimol/L: 12.2804 
 
 Surface and Volume Properties
  Accessible surface: 450.675  Positive charged surface: 319.191  Negative charged surface: 131.484  Volume: 210.5
  Hydrophobic surface: 319.408  Hydrophilic surface: 131.267
 
 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.