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CHEMBRIDGE-ZINC02893986

 MMsINC code: MMs00737326
Type: Neutral
Formula: C14H25NO
SMILES:   O(CCCNC1C2CC3CC1CC(C2)C3)C
InChI:   InChI=1/C14H25NO/c1-16-4-2-3-15-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-15H,2-9H2,1H3/t10-,11+,12-,13+,14-

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Potential Energy
Epot(MMFF94)=32.3525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.36 g/mol  logS: -2.40293  SlogP: 2.4372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106827  Sterimol/B1: 3.74838  Sterimol/B2: 3.78043  Sterimol/B3: 4.05115
  Sterimol/B4: 4.10878  Sterimol/L: 15.0277 
 
 Surface and Volume Properties
  Accessible surface: 463.706  Positive charged surface: 405.331  Negative charged surface: 58.3752  Volume: 245.5
  Hydrophobic surface: 450.295  Hydrophilic surface: 13.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00737327
CHEMBRIDGE-ZINC02893986