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CHEMDIV-ZINC06834980

 MMsINC code: MMs01045156
Type: Neutral
Formula: C15H18N2O2
SMILES:   o1nc(c2c1cccc2)CC(=O)N1CC(CCC1)C
InChI:   InChI=1/C15H18N2O2/c1-11-5-4-8-17(10-11)15(18)9-13-12-6-2-3-7-14(12)19-16-13/h2-3,6-7,11H,4-5,8-10H2,1H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=42.857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.321 g/mol  logS: -3.08836  SlogP: 2.62877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0899699  Sterimol/B1: 2.38812  Sterimol/B2: 3.88519  Sterimol/B3: 4.28904
  Sterimol/B4: 5.95894  Sterimol/L: 15.215 
 
 Surface and Volume Properties
  Accessible surface: 488.79  Positive charged surface: 319.107  Negative charged surface: 166.528  Volume: 256.25
  Hydrophobic surface: 417.252  Hydrophilic surface: 71.538
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.