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PUBCHEM-ZINC02852411

 MMsINC code: MMs02939036
Type: Neutral
Formula: C13H24N2O3
SMILES:   O(CCCNC(=O)C(=O)NC1CCCCC1C)C
InChI:   InChI=1/C13H24N2O3/c1-10-6-3-4-7-11(10)15-13(17)12(16)14-8-5-9-18-2/h10-11H,3-9H2,1-2H3,(H,14,16)(H,15,17)/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=37.2977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -1.953  SlogP: 0.834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524713  Sterimol/B1: 2.03792  Sterimol/B2: 3.53497  Sterimol/B3: 3.55924
  Sterimol/B4: 6.83876  Sterimol/L: 17.4716 
 
 Surface and Volume Properties
  Accessible surface: 532.313  Positive charged surface: 421.855  Negative charged surface: 110.459  Volume: 266.5
  Hydrophobic surface: 419.965  Hydrophilic surface: 112.348
 
 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.