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CHEMBRIDGE-ZINC02756072

 MMsINC code: MMs00715522
Type: Neutral
Formula: C29H23ClN2O2
SMILES:   Clc1ccccc1COc1ccc(cc1OC)-c1[nH]c(c(n1)-c1ccccc1)-c1ccccc1
InChI:   InChI=1/C29H23ClN2O2/c1-33-26-18-22(16-17-25(26)34-19-23-14-8-9-15-24(23)30)29-31-27(20-10-4-2-5-11-20)28(32-29)21-12-6-3-7-13-21/h2-18H,19H2,1H3,(H,31,32)

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Potential Energy
Epot(MMFF94)=124.419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.968 g/mol  logS: -10.0681  SlogP: 7.9181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151661  Sterimol/B1: 2.37927  Sterimol/B2: 2.75841  Sterimol/B3: 3.47351
  Sterimol/B4: 9.79263  Sterimol/L: 21.0105 
 
 Surface and Volume Properties
  Accessible surface: 779.546  Positive charged surface: 445.358  Negative charged surface: 334.188  Volume: 451.875
  Hydrophobic surface: 750.258  Hydrophilic surface: 29.288
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.