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CHEMSTAR-ZINC02299726

 MMsINC code: MMs01080866
Type: Neutral
Formula: C28H18Cl2N2O6
SMILES:   Clc1ccccc1-c1noc(C)c1C(Oc1ccc(OC(=O)c2c(noc2C)-c2ccccc2Cl)cc
1)=O
InChI:   InChI=1/C28H18Cl2N2O6/c1-15-23(25(31-37-15)19-7-3-5-9-21(19)29)27(33)35-17-11-13-18(14-12-17)36-28(34)24-16(2)38-32-26(24)20-8-4-6-10-22(20)30/h3-14H,1-2H3

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Potential Energy
Epot(MMFF94)=162.553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 549.366 g/mol  logS: -9.79142  SlogP: 7.35864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557345  Sterimol/B1: 2.19814  Sterimol/B2: 3.33494  Sterimol/B3: 5.5466
  Sterimol/B4: 9.86573  Sterimol/L: 17.8076 
 
 Surface and Volume Properties
  Accessible surface: 812.383  Positive charged surface: 334.575  Negative charged surface: 477.807  Volume: 472.625
  Hydrophobic surface: 718.791  Hydrophilic surface: 93.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.