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CHEMBRIDGE-ZINC05009942

 MMsINC code: MMs00825878
Type: Neutral
Formula: C18H17Cl2NO4
SMILES:   Clc1cc(Cl)cc(\C=N\C(C(O)c2ccccc2)C(OCC)=O)c1O
InChI:   InChI=1/C18H17Cl2NO4/c1-2-25-18(24)15(17(23)11-6-4-3-5-7-11)21-10-12-8-13(19)9-14(20)16(12)22/h3-10,15,17,22-23H,2H2,1H3/b21-10+/t15-,17+/m1/s1

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Potential Energy
Epot(MMFF94)=94.2895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.243 g/mol  logS: -4.89313  SlogP: 3.8787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130897  Sterimol/B1: 3.73372  Sterimol/B2: 4.1531  Sterimol/B3: 4.97821
  Sterimol/B4: 7.87984  Sterimol/L: 16 
 
 Surface and Volume Properties
  Accessible surface: 619.94  Positive charged surface: 314.077  Negative charged surface: 305.863  Volume: 335.75
  Hydrophobic surface: 510.13  Hydrophilic surface: 109.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.