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PUBCHEM-ZINC03642145

 MMsINC code: MMs03031667
Type: Neutral
Formula: C15H24N2O4
SMILES:   OC1CCC(N2C(=O)C(CCC(C)C)C(=O)NC2=O)CC1
InChI:   InChI=1/C15H24N2O4/c1-9(2)3-8-12-13(19)16-15(21)17(14(12)20)10-4-6-11(18)7-5-10/h9-12,18H,3-8H2,1-2H3,(H,16,19,21)/t10-,11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=12.1095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.367 g/mol  logS: -3.31975  SlogP: 1.4207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0706526  Sterimol/B1: 2.31534  Sterimol/B2: 2.77873  Sterimol/B3: 4.60404
  Sterimol/B4: 5.50484  Sterimol/L: 16.8767 
 
 Surface and Volume Properties
  Accessible surface: 525.703  Positive charged surface: 374.194  Negative charged surface: 151.509  Volume: 281.75
  Hydrophobic surface: 322.125  Hydrophilic surface: 203.578
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.