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NCID-ZINC01689132

 MMsINC code: MMs02321699
Type: Neutral
Formula: C7H9ClN2O2
SMILES:   ClC=1C(=O)NC(=O)NC=1CCC
InChI:   InChI=1/C7H9ClN2O2/c1-2-3-4-5(8)6(11)10-7(12)9-4/h2-3H2,1H3,(H2,9,10,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.66428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.614 g/mol  logS: -2.26703  SlogP: 1.1852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0750824  Sterimol/B1: 2.51539  Sterimol/B2: 3.10738  Sterimol/B3: 3.96432
  Sterimol/B4: 4.82097  Sterimol/L: 10.7676 
 
 Surface and Volume Properties
  Accessible surface: 360.084  Positive charged surface: 192.486  Negative charged surface: 167.598  Volume: 159
  Hydrophobic surface: 181.197  Hydrophilic surface: 178.887
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.