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CHEMBLOCK-ZINC04686963

 MMsINC code: MMs00569020
Type: Neutral
Formula: C14H24N2O4
SMILES:   O1C(CCC=C(C)C)(C)C(O)(N(CCC(=O)N)C1=O)C
InChI:   InChI=1/C14H24N2O4/c1-10(2)6-5-8-13(3)14(4,19)16(12(18)20-13)9-7-11(15)17/h6,19H,5,7-9H2,1-4H3,(H2,15,17)/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=40.1093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.356 g/mol  logS: -2.41872  SlogP: 1.5276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0745159  Sterimol/B1: 3.48751  Sterimol/B2: 4.21319  Sterimol/B3: 4.49037
  Sterimol/B4: 4.89559  Sterimol/L: 15.8831 
 
 Surface and Volume Properties
  Accessible surface: 532.719  Positive charged surface: 353.971  Negative charged surface: 178.748  Volume: 283
  Hydrophobic surface: 296.88  Hydrophilic surface: 235.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.