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NCID-ZINC05956078

 MMsINC code: MMs02513338
Type: Neutral
Formula: C13H20N2O4
SMILES:   O1C(C(C)C)C(=O)N2C(CCC2)C(=O)NC(C)C1=O
InChI:   InChI=1/C13H20N2O4/c1-7(2)10-12(17)15-6-4-5-9(15)11(16)14-8(3)13(18)19-10/h7-10H,4-6H2,1-3H3,(H,14,16)/t8-,9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=921.723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.313 g/mol  logS: -1.99704  SlogP: 0.0635  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.248816  Sterimol/B1: 2.24967  Sterimol/B2: 3.62827  Sterimol/B3: 3.92677
  Sterimol/B4: 6.85518  Sterimol/L: 10.9019 
 
 Surface and Volume Properties
  Accessible surface: 420.284  Positive charged surface: 274.237  Negative charged surface: 146.047  Volume: 241.375
  Hydrophobic surface: 267.858  Hydrophilic surface: 152.426
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.