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PUBCHEM-ZINC04548059

 MMsINC code: MMs03132087
Type: Neutral
Formula: C14H23N3O3
SMILES:   O=C1N(CC(=O)NC(CCC)C)C(=O)NC12CCCC2
InChI:   InChI=1/C14H23N3O3/c1-3-6-10(2)15-11(18)9-17-12(19)14(16-13(17)20)7-4-5-8-14/h10H,3-9H2,1-2H3,(H,15,18)(H,16,20)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=12.8575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.356 g/mol  logS: -2.53439  SlogP: 1.1558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553289  Sterimol/B1: 3.21744  Sterimol/B2: 3.33889  Sterimol/B3: 3.78253
  Sterimol/B4: 5.84132  Sterimol/L: 16.2883 
 
 Surface and Volume Properties
  Accessible surface: 541.465  Positive charged surface: 384.784  Negative charged surface: 156.681  Volume: 278.75
  Hydrophobic surface: 372.79  Hydrophilic surface: 168.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.