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PUBCHEM-ZINC02519538

 MMsINC code: MMs02891914
Type: Neutral
Formula: C14H23N3O2
SMILES:   O=C(N(CC)CC)c1c[nH]cc1C(=O)N(CC)CC
InChI:   InChI=1/C14H23N3O2/c1-5-16(6-2)13(18)11-9-15-10-12(11)14(19)17(7-3)8-4/h9-10,15H,5-8H2,1-4H3

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Potential Energy
Epot(MMFF94)=57.5409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.357 g/mol  logS: -1.21722  SlogP: 1.9787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113675  Sterimol/B1: 2.34323  Sterimol/B2: 3.44736  Sterimol/B3: 5.10286
  Sterimol/B4: 6.64611  Sterimol/L: 13.1418 
 
 Surface and Volume Properties
  Accessible surface: 509.386  Positive charged surface: 355.052  Negative charged surface: 154.334  Volume: 277.875
  Hydrophobic surface: 323.749  Hydrophilic surface: 185.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.