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CHEMBLOCK-ZINC04524697

 MMsINC code: MMs00555095
Type: Neutral
Formula: C18H12Cl2N2O3
SMILES:   Clc1ccc(N2N=C(C)\C(=C\c3ccc(Cl)cc3)\C2=O)cc1C(O)=O
InChI:   InChI=1/C18H12Cl2N2O3/c1-10-14(8-11-2-4-12(19)5-3-11)17(23)22(21-10)13-6-7-16(20)15(9-13)18(24)25/h2-9H,1H3,(H,24,25)/b14-8-

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Potential Energy
Epot(MMFF94)=110.044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.211 g/mol  logS: -5.89651  SlogP: 4.4977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237721  Sterimol/B1: 2.04506  Sterimol/B2: 2.79861  Sterimol/B3: 3.02774
  Sterimol/B4: 9.38972  Sterimol/L: 16.4679 
 
 Surface and Volume Properties
  Accessible surface: 590.002  Positive charged surface: 274.034  Negative charged surface: 315.968  Volume: 317.875
  Hydrophobic surface: 468.477  Hydrophilic surface: 121.525
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00555096
CHEMBLOCK-ZINC04524697