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AURORAFEINCHEMIE-ZINC06666371

 MMsINC code: MMs00478743
Type: Neutral
Formula: C15H16Cl2N2O3
SMILES:   Clc1c2c(NC(=O)C(C)=C2OC(=O)N(CC)CC)c(Cl)cc1
InChI:   InChI=1/C15H16Cl2N2O3/c1-4-19(5-2)15(21)22-13-8(3)14(20)18-12-10(17)7-6-9(16)11(12)13/h6-7H,4-5H2,1-3H3,(H,18,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.0871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.21 g/mol  logS: -4.47256  SlogP: 4.1549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163411  Sterimol/B1: 2.48638  Sterimol/B2: 3.72333  Sterimol/B3: 6.1028
  Sterimol/B4: 6.9591  Sterimol/L: 13.8874 
 
 Surface and Volume Properties
  Accessible surface: 515.624  Positive charged surface: 280.408  Negative charged surface: 235.216  Volume: 291.125
  Hydrophobic surface: 395.543  Hydrophilic surface: 120.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.