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ENAMINE-ZINC02623321

 MMsINC code: MMs01256873
Type: Neutral
Formula: C19H17Cl2N3O3
SMILES:   Clc1cc(NC(=O)CN2C(=O)C(NC2=O)(C)c2ccc(Cl)cc2)ccc1C
InChI:   InChI=1/C19H17Cl2N3O3/c1-11-3-8-14(9-15(11)21)22-16(25)10-24-17(26)19(2,23-18(24)27)12-4-6-13(20)7-5-12/h3-9H,10H2,1-2H3,(H,22,25)(H,23,27)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.1058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.269 g/mol  logS: -5.75508  SlogP: 4.01902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0893096  Sterimol/B1: 3.82311  Sterimol/B2: 4.24174  Sterimol/B3: 5.32736
  Sterimol/B4: 6.66737  Sterimol/L: 15.8891 
 
 Surface and Volume Properties
  Accessible surface: 640.776  Positive charged surface: 305.826  Negative charged surface: 334.951  Volume: 350.875
  Hydrophobic surface: 501.53  Hydrophilic surface: 139.246
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.