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NCID-ZINC01610589

 MMsINC code: MMs02261428
Type: Neutral
Formula: C20H26O
SMILES:   O(c1cc(ccc1C(C)C)C)c1cc(ccc1C(C)C)C
InChI:   InChI=1/C20H26O/c1-13(2)17-9-7-15(5)11-19(17)21-20-12-16(6)8-10-18(20)14(3)4/h7-14H,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.3916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.427 g/mol  logS: -6.49725  SlogP: 6.34254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.388269  Sterimol/B1: 2.4007  Sterimol/B2: 3.44912  Sterimol/B3: 7.19829
  Sterimol/B4: 7.4394  Sterimol/L: 12.6051 
 
 Surface and Volume Properties
  Accessible surface: 561.84  Positive charged surface: 368.776  Negative charged surface: 193.064  Volume: 318
  Hydrophobic surface: 485.881  Hydrophilic surface: 75.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.