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SIAL-ZINC04776627

 MMsINC code: MMs03925145
Type: Ionized
Formula: C14H9Cl2N2O3-
SMILES:   Clc1c(NC(=O)Nc2ccccc2C(=O)[O-])cccc1Cl
InChI:   InChI=1/C14H10Cl2N2O3/c15-9-5-3-7-11(12(9)16)18-14(21)17-10-6-2-1-4-8(10)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)/p-1

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Potential Energy
Epot(MMFF94)=25.8151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.143 g/mol  logS: -4.95048  SlogP: 3.0009  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.29311e-05  Sterimol/B1: 2.10413  Sterimol/B2: 2.11653  Sterimol/B3: 3.53381
  Sterimol/B4: 5.84304  Sterimol/L: 15.7659 
 
 Surface and Volume Properties
  Accessible surface: 510.142  Positive charged surface: 196.806  Negative charged surface: 313.335  Volume: 266.625
  Hydrophobic surface: 396.003  Hydrophilic surface: 114.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs03925144
SIAL-ZINC04776627