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IBS-ZINC00534049

 MMsINC code: MMs01748817
Type: Neutral
Formula: C13H24N2O3
SMILES:   OC(=O)C(NC(=O)N1CCC(CC1)C)CC(C)C
InChI:   InChI=1/C13H24N2O3/c1-9(2)8-11(12(16)17)14-13(18)15-6-4-10(3)5-7-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=14.8704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -2.32297  SlogP: 1.9272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123446  Sterimol/B1: 2.61744  Sterimol/B2: 4.10471  Sterimol/B3: 4.58462
  Sterimol/B4: 5.76749  Sterimol/L: 14.4061 
 
 Surface and Volume Properties
  Accessible surface: 505.168  Positive charged surface: 369.961  Negative charged surface: 135.208  Volume: 261
  Hydrophobic surface: 335.129  Hydrophilic surface: 170.039
 
 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


MMs01748818
IBS-ZINC00534049