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CHEMDIV-ZINC02966700

 MMsINC code: MMs00899511
Type: Neutral
Formula: C14H24N2O3
SMILES:   O=C1N(C(CC1)C(=O)NCCOC)C1CCCCC1
InChI:   InChI=1/C14H24N2O3/c1-19-10-9-15-14(18)12-7-8-13(17)16(12)11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,18)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=47.1765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.357 g/mol  logS: -1.676  SlogP: 1.0727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0752607  Sterimol/B1: 3.4292  Sterimol/B2: 3.70598  Sterimol/B3: 3.78768
  Sterimol/B4: 5.65766  Sterimol/L: 15.2368 
 
 Surface and Volume Properties
  Accessible surface: 525.973  Positive charged surface: 434.167  Negative charged surface: 91.8055  Volume: 271.375
  Hydrophobic surface: 467.751  Hydrophilic surface: 58.222
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.