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NCID-ZINC04783144

 MMsINC code: MMs02405617
Type: Neutral
Formula: C10H18Cl2N2O4
SMILES:   ClC(CN(CC(Cl)C)C(OCC(N)C(O)=O)=O)C
InChI:   InChI=1/C10H18Cl2N2O4/c1-6(11)3-14(4-7(2)12)10(17)18-5-8(13)9(15)16/h6-8H,3-5,13H2,1-2H3,(H,15,16)/t6-,7-,8+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.8241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.17 g/mol  logS: -1.60612  SlogP: 1.9313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109198  Sterimol/B1: 2.26035  Sterimol/B2: 3.84854  Sterimol/B3: 3.97181
  Sterimol/B4: 8.06597  Sterimol/L: 13.9668 
 
 Surface and Volume Properties
  Accessible surface: 516.692  Positive charged surface: 290.883  Negative charged surface: 225.81  Volume: 259.875
  Hydrophobic surface: 201.055  Hydrophilic surface: 315.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.