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CHEMBLOCK-ZINC04772356

 MMsINC code: MMs00578673
Type: Neutral
Formula: C16H11ClN6O4
SMILES:   Clc1ccc(cc1)-c1[nH]c2NC(=O)NC(=O)c2c1C=1C(=O)NC(=O)NC=1N
InChI:   InChI=1/C16H11ClN6O4/c17-6-3-1-5(2-4-6)10-7(8-11(18)20-15(26)22-13(8)24)9-12(19-10)21-16(27)23-14(9)25/h1-4H,(H4,18,20,22,24,26)(H3,19,21,23,25,27)

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Potential Energy
Epot(MMFF94)=7.09288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.755 g/mol  logS: -4.67363  SlogP: 1.0771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168715  Sterimol/B1: 2.59184  Sterimol/B2: 3.6619  Sterimol/B3: 4.80335
  Sterimol/B4: 9.08143  Sterimol/L: 15.3362 
 
 Surface and Volume Properties
  Accessible surface: 556.952  Positive charged surface: 276.913  Negative charged surface: 280.038  Volume: 304.875
  Hydrophobic surface: 202.2  Hydrophilic surface: 354.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.