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COMGENEX-ZINC04515218

 MMsINC code: MMs01144236
Type: Neutral
Formula: C15H24N2O3
SMILES:   o1cc(cc1)C(=O)N(C(CC)C)CCC(=O)NC(C)C
InChI:   InChI=1/C15H24N2O3/c1-5-12(4)17(8-6-14(18)16-11(2)3)15(19)13-7-9-20-10-13/h7,9-12H,5-6,8H2,1-4H3,(H,16,18)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=80.8961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.368 g/mol  logS: -2.58877  SlogP: 2.435  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121147  Sterimol/B1: 2.01502  Sterimol/B2: 2.42266  Sterimol/B3: 5.77005
  Sterimol/B4: 8.42136  Sterimol/L: 13.8862 
 
 Surface and Volume Properties
  Accessible surface: 540.004  Positive charged surface: 335.802  Negative charged surface: 204.202  Volume: 288
  Hydrophobic surface: 387.711  Hydrophilic surface: 152.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.