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PUBCHEM-ZINC04307854

 MMsINC code: MMs03112878
Type: Neutral
Formula: C14H25N3O3
SMILES:   O=C1N(CC(=O)NCCC)C(=O)NC1(CCC(C)C)C
InChI:   InChI=1/C14H25N3O3/c1-5-8-15-11(18)9-17-12(19)14(4,16-13(17)20)7-6-10(2)3/h10H,5-9H2,1-4H3,(H,15,18)(H,16,20)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=15.8006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.372 g/mol  logS: -3.13789  SlogP: 1.2593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0517494  Sterimol/B1: 3.01359  Sterimol/B2: 3.14079  Sterimol/B3: 3.73452
  Sterimol/B4: 4.88311  Sterimol/L: 18.9748 
 
 Surface and Volume Properties
  Accessible surface: 556.616  Positive charged surface: 392.045  Negative charged surface: 164.571  Volume: 288.875
  Hydrophobic surface: 344.22  Hydrophilic surface: 212.396
 
 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.