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PUBCHEM-ZINC01407142

 MMsINC code: MMs02801271
Type: Neutral
Formula: C15H26N2O3
SMILES:   O=C1N(CCC1)CC(OC(=O)CC)CN1CCCCC1
InChI:   InChI=1/C15H26N2O3/c1-2-15(19)20-13(11-16-8-4-3-5-9-16)12-17-10-6-7-14(17)18/h13H,2-12H2,1H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=27.5836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.384 g/mol  logS: -1.15899  SlogP: 1.4165  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.139141  Sterimol/B1: 2.48301  Sterimol/B2: 3.90511  Sterimol/B3: 4.05018
  Sterimol/B4: 7.80258  Sterimol/L: 13.8531 
 
 Surface and Volume Properties
  Accessible surface: 525.075  Positive charged surface: 415.756  Negative charged surface: 109.318  Volume: 289.75
  Hydrophobic surface: 464.588  Hydrophilic surface: 60.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02801272
PUBCHEM-ZINC01407142