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ASINEX-ZINC00255321

 MMsINC code: MMs00100491
Type: Neutral
Formula: C15H20N2O2
SMILES:   O(C)c1ccc(cc1)C(O)c1n(C)c(nc1)C(C)C
InChI:   InChI=1/C15H20N2O2/c1-10(2)15-16-9-13(17(15)3)14(18)11-5-7-12(19-4)8-6-11/h5-10,14,18H,1-4H3/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=51.8276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.337 g/mol  logS: -2.02116  SlogP: 3.0885  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146722  Sterimol/B1: 3.63846  Sterimol/B2: 3.94867  Sterimol/B3: 4.70873
  Sterimol/B4: 4.839  Sterimol/L: 15.4476 
 
 Surface and Volume Properties
  Accessible surface: 509.762  Positive charged surface: 369.983  Negative charged surface: 139.779  Volume: 267.125
  Hydrophobic surface: 407.554  Hydrophilic surface: 102.208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.