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PUBCHEM-ZINC06636126

MMsINC code: MMs03832384

Type: Ionized
Formula: C13H25N2O3-
SMILES:   O=C([O-])C(NC(=O)N(CCC)CCC)C(CC)C
InChI:   InChI=1/C13H26N2O3/c1-5-8-15(9-6-2)13(18)14-11(12(16)17)10(4)7-3/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)/p-1/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=3.41288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.354 g/mol  logS: -2.05856  SlogP: 0.9826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103097  Sterimol/B1: 2.25068  Sterimol/B2: 3.45622  Sterimol/B3: 3.61888
  Sterimol/B4: 8.94206  Sterimol/L: 13.5844 
 
 Surface and Volume Properties
  Accessible surface: 527.377  Positive charged surface: 362.863  Negative charged surface: 164.514  Volume: 273.75
  Hydrophobic surface: 356.49  Hydrophilic surface: 170.887
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs03832383
PUBCHEM-ZINC06636126