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ASINEX-ZINC04006978

 MMsINC code: MMs00295767
Type: Neutral
Formula: C15H25NO
SMILES:   O=C(CCN(C)C)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C15H25NO/c1-16(2)4-3-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10H2,1-2H3/t11-,12+,13-,15-

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Potential Energy
Epot(MMFF94)=45.5925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.371 g/mol  logS: -3.09957  SlogP: 2.7236  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.120582  Sterimol/B1: 2.49886  Sterimol/B2: 3.6367  Sterimol/B3: 4.25192
  Sterimol/B4: 5.2912  Sterimol/L: 13.7693 
 
 Surface and Volume Properties
  Accessible surface: 461.558  Positive charged surface: 397.556  Negative charged surface: 64.0018  Volume: 254.5
  Hydrophobic surface: 436.643  Hydrophilic surface: 24.915
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00295768
ASINEX-ZINC04006978