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IBS-ZINC00540219

 MMsINC code: MMs01750661
Type: Neutral
Formula: C10H18N2O3
SMILES:   OC(=O)C(NC(=O)N1CCC(CC1)C)C
InChI:   InChI=1/C10H18N2O3/c1-7-3-5-12(6-4-7)10(15)11-8(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=4.37513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -1.09076  SlogP: 0.901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109634  Sterimol/B1: 2.62177  Sterimol/B2: 3.18062  Sterimol/B3: 4.36053
  Sterimol/B4: 4.50102  Sterimol/L: 13.8564 
 
 Surface and Volume Properties
  Accessible surface: 434.827  Positive charged surface: 316.747  Negative charged surface: 118.08  Volume: 210.625
  Hydrophobic surface: 270.85  Hydrophilic surface: 163.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs01750662
IBS-ZINC00540219