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ENAMINE-ZINC04821525

 MMsINC code: MMs01553100
Type: Neutral
Formula: C9H8Cl2N2O3
SMILES:   Clc1c(OCC(=O)NC(=O)N)cccc1Cl
InChI:   InChI=1/C9H8Cl2N2O3/c10-5-2-1-3-6(8(5)11)16-4-7(14)13-9(12)15/h1-3H,4H2,(H3,12,13,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.6062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.08 g/mol  logS: -3.41093  SlogP: 1.5671  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00529187  Sterimol/B1: 2.37449  Sterimol/B2: 2.37562  Sterimol/B3: 2.54725
  Sterimol/B4: 6.47775  Sterimol/L: 15.0245 
 
 Surface and Volume Properties
  Accessible surface: 442.896  Positive charged surface: 206.892  Negative charged surface: 236.004  Volume: 206.25
  Hydrophobic surface: 273.383  Hydrophilic surface: 169.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.