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NCID-ZINC01572581

 MMsINC code: MMs02232278
Type: Neutral
Formula: C21H26Cl2O
SMILES:   Clc1cc(ccc1Cl)COc1ccc(cc1)C(CC(C)(C)C)(C)C
InChI:   InChI=1/C21H26Cl2O/c1-20(2,3)14-21(4,5)16-7-9-17(10-8-16)24-13-15-6-11-18(22)19(23)12-15/h6-12H,13-14H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=199.631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.344 g/mol  logS: -8.7522  SlogP: 7.5526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641961  Sterimol/B1: 3.20307  Sterimol/B2: 3.42663  Sterimol/B3: 5.03714
  Sterimol/B4: 5.19937  Sterimol/L: 19.5987 
 
 Surface and Volume Properties
  Accessible surface: 625.276  Positive charged surface: 318.608  Negative charged surface: 306.669  Volume: 358.25
  Hydrophobic surface: 543.406  Hydrophilic surface: 81.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.