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PUBCHEM-ZINC05765375

 MMsINC code: MMs03378964
Type: Neutral
Formula: C15H24O
SMILES:   O=C1CCC2C3(CC(CC3)C2(C)C)C1(C)C
InChI:   InChI=1/C15H24O/c1-13(2)10-7-8-15(9-10)11(13)5-6-12(16)14(15,3)4/h10-11H,5-9H2,1-4H3/t10-,11-,15-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.356 g/mol  logS: -4.55933  SlogP: 3.818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.426218  Sterimol/B1: 2.30809  Sterimol/B2: 4.17556  Sterimol/B3: 4.4379
  Sterimol/B4: 5.28056  Sterimol/L: 10.4224 
 
 Surface and Volume Properties
  Accessible surface: 405.101  Positive charged surface: 276.676  Negative charged surface: 128.425  Volume: 235.75
  Hydrophobic surface: 311.215  Hydrophilic surface: 93.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.