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NANOSIN-ZINC04662017

 MMsINC code: MMs02209328
Type: Neutral
Formula: C15H25NO
SMILES:   O=C(NC(CC)C12CC3CC(C1)CC(C2)C3)C
InChI:   InChI=1/C15H25NO/c1-3-14(16-10(2)17)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-14H,3-9H2,1-2H3,(H,16,17)/t11-,12+,13-,14-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=50.5023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.371 g/mol  logS: -4.01717  SlogP: 3.1175  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194213  Sterimol/B1: 2.39353  Sterimol/B2: 3.89559  Sterimol/B3: 3.97836
  Sterimol/B4: 6.50723  Sterimol/L: 12.1239 
 
 Surface and Volume Properties
  Accessible surface: 444.692  Positive charged surface: 339.135  Negative charged surface: 105.557  Volume: 250.625
  Hydrophobic surface: 396.978  Hydrophilic surface: 47.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.