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CHEMDIV-ZINC02966699

 MMsINC code: MMs00899510
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-/m1/s1

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Potential Energy
Epot(MMFF94)=41.8987 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: 0.100106  Sterimol/B1: 2.45047  Sterimol/B2: 2.91687  Sterimol/B3: 4.74881
  Sterimol/B4: 6.77897  Sterimol/L: 15.201 
 
 Surface and Volume Properties
  Accessible surface: 524.913  Positive charged surface: 426.296  Negative charged surface: 98.6175  Volume: 273.25
  Hydrophobic surface: 464.68  Hydrophilic surface: 60.233
 
 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.