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INDOFINE-ZINC01644304

 MMsINC code: MMs02091547
Type: Neutral
Formula: C18H24O
SMILES:   Oc1ccc(cc1)\C=C\C(CCC=C(C)C)(C=C)C
InChI:   InChI=1/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.389 g/mol  logS: -6.33201  SlogP: 5.3441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16136  Sterimol/B1: 2.81734  Sterimol/B2: 3.46845  Sterimol/B3: 4.08224
  Sterimol/B4: 8.58889  Sterimol/L: 14.4591 
 
 Surface and Volume Properties
  Accessible surface: 540.793  Positive charged surface: 342.426  Negative charged surface: 198.367  Volume: 290.125
  Hydrophobic surface: 420.229  Hydrophilic surface: 120.564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.