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CHEMSTAR-ZINC04179570

 MMsINC code: MMs01110378
Type: Neutral
Formula: C26H14Cl3NO5
SMILES:   Clc1c(N2C(=O)C3C(C(OC34C(=O)c3c(cccc3)C4=O)c3ccc(Cl)cc3)C2=O
)cccc1Cl
InChI:   InChI=1/C26H14Cl3NO5/c27-13-10-8-12(9-11-13)21-18-19(25(34)30(24(18)33)17-7-3-6-16(28)20(17)29)26(35-21)22(31)14-4-1-2-5-15(14)23(26)32/h1-11,18-19,21H/t18-,19+,21+/m1/s1

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Potential Energy
Epot(MMFF94)=141.9 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 526.759 g/mol  logS: -8.34534  SlogP: 5.4374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152236  Sterimol/B1: 2.93377  Sterimol/B2: 3.14745  Sterimol/B3: 5.62058
  Sterimol/B4: 12.2576  Sterimol/L: 15.6371 
 
 Surface and Volume Properties
  Accessible surface: 719.819  Positive charged surface: 257.12  Negative charged surface: 462.7  Volume: 425.375
  Hydrophobic surface: 599.462  Hydrophilic surface: 120.357
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.