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CHEMBLOCK-ZINC04198908

 MMsINC code: MMs00546585
Type: Neutral
Formula: C25H36O
SMILES:   O=C1C(CCC1C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C25H36O/c26-23-21(24-9-15-3-16(10-24)5-17(4-15)11-24)1-2-22(23)25-12-18-6-19(13-25)8-20(7-18)14-25/h15-22H,1-14H2/t15-,16+,17-,18-,19+,20-,21-,22-,24-,25-/m1/s1

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Potential Energy
Epot(MMFF94)=101.518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.562 g/mol  logS: -9.30337  SlogP: 6.0145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115866  Sterimol/B1: 2.39741  Sterimol/B2: 3.94913  Sterimol/B3: 4.16023
  Sterimol/B4: 6.34089  Sterimol/L: 15.2763 
 
 Surface and Volume Properties
  Accessible surface: 559.59  Positive charged surface: 460.534  Negative charged surface: 99.0566  Volume: 363.125
  Hydrophobic surface: 548.462  Hydrophilic surface: 11.128
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.