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ENAMINE-ZINC03532003

 MMsINC code: MMs01494240
Type: Neutral
Formula: C16H25N3O3
SMILES:   O=C1N(CC(=O)N2CCCCC2)C(=O)NC1C1CCCCC1
InChI:   InChI=1/C16H25N3O3/c20-13(18-9-5-2-6-10-18)11-19-15(21)14(17-16(19)22)12-7-3-1-4-8-12/h12,14H,1-11H2,(H,17,22)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=14.8966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.394 g/mol  logS: -3.02959  SlogP: 1.4996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0572707  Sterimol/B1: 3.40879  Sterimol/B2: 3.58986  Sterimol/B3: 3.70098
  Sterimol/B4: 4.79106  Sterimol/L: 17.215 
 
 Surface and Volume Properties
  Accessible surface: 551.421  Positive charged surface: 416.814  Negative charged surface: 134.606  Volume: 298.875
  Hydrophobic surface: 432.069  Hydrophilic surface: 119.352
 
 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.