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NCID-ZINC00399755

 MMsINC code: MMs02216173
Type: Neutral
Formula: C16H16O2
SMILES:   O1CCOC(C1c1ccccc1)c1ccccc1
InChI:   InChI=1/C16H16O2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.302 g/mol  logS: -3.56046  SlogP: 3.7068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184813  Sterimol/B1: 2.63974  Sterimol/B2: 3.05801  Sterimol/B3: 3.46534
  Sterimol/B4: 8.78237  Sterimol/L: 10.5982 
 
 Surface and Volume Properties
  Accessible surface: 455.236  Positive charged surface: 303.01  Negative charged surface: 152.227  Volume: 246.375
  Hydrophobic surface: 441.665  Hydrophilic surface: 13.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.