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ACROSORGANICS-ZINC02166880

 MMsINC code: MMs00013028
Type: Neutral
Formula: C18H29NO2
SMILES:   O=[N+]([O-])c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C18H29NO2/c1-16(2,3)12-10-13(17(4,5)6)15(19(20)21)14(11-12)18(7,8)9/h10-11H,1-9H3

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Potential Energy
Epot(MMFF94)=169.024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.435 g/mol  logS: -7.60695  SlogP: 5.4873  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202757  Sterimol/B1: 2.38669  Sterimol/B2: 4.88299  Sterimol/B3: 5.36773
  Sterimol/B4: 6.81214  Sterimol/L: 11.2567 
 
 Surface and Volume Properties
  Accessible surface: 514.936  Positive charged surface: 330.022  Negative charged surface: 184.914  Volume: 312.125
  Hydrophobic surface: 336.661  Hydrophilic surface: 178.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.