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PUBCHEM-ZINC06906792

 MMsINC code: MMs03897202
Type: Neutral
Formula: C14H25N3O3
SMILES:   O=C1N(CC(=O)NC(C)C)C(=O)NC1(CCC(C)C)C
InChI:   InChI=1/C14H25N3O3/c1-9(2)6-7-14(5)12(19)17(13(20)16-14)8-11(18)15-10(3)4/h9-10H,6-8H2,1-5H3,(H,15,18)(H,16,20)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=19.3122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.372 g/mol  logS: -3.26333  SlogP: 1.2577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561505  Sterimol/B1: 3.25169  Sterimol/B2: 3.8113  Sterimol/B3: 3.84543
  Sterimol/B4: 4.2232  Sterimol/L: 17.6646 
 
 Surface and Volume Properties
  Accessible surface: 553.763  Positive charged surface: 381.053  Negative charged surface: 172.71  Volume: 284.75
  Hydrophobic surface: 326.828  Hydrophilic surface: 226.935
 
 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.