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NCID-ZINC01691252

 MMsINC code: MMs02323392
Type: Neutral
Formula: C9H14Cl2N2O2
SMILES:   ClCCN(CCCl)CN1C(=O)CCC1=O
InChI:   InChI=1/C9H14Cl2N2O2/c10-3-5-12(6-4-11)7-13-8(14)1-2-9(13)15/h1-7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.29683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.129 g/mol  logS: -1.09106  SlogP: 0.8725  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.158831  Sterimol/B1: 2.58634  Sterimol/B2: 4.00023  Sterimol/B3: 4.19999
  Sterimol/B4: 6.76945  Sterimol/L: 11.6785 
 
 Surface and Volume Properties
  Accessible surface: 445.557  Positive charged surface: 227.896  Negative charged surface: 217.661  Volume: 219.125
  Hydrophobic surface: 223.622  Hydrophilic surface: 221.935
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.