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ENAMINE-ZINC03336050

 MMsINC code: MMs01379842
Type: Neutral
Formula: C10H13ClN2O2
SMILES:   Clc1cc(NC(=O)CNC)c(OC)cc1
InChI:   InChI=1/C10H13ClN2O2/c1-12-6-10(14)13-8-5-7(11)3-4-9(8)15-2/h3-5,12H,6H2,1-2H3,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.1112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.679 g/mol  logS: -2.13858  SlogP: 1.5065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308243  Sterimol/B1: 2.4485  Sterimol/B2: 2.9676  Sterimol/B3: 4.7626
  Sterimol/B4: 6.41572  Sterimol/L: 13.2 
 
 Surface and Volume Properties
  Accessible surface: 449.343  Positive charged surface: 309.632  Negative charged surface: 139.711  Volume: 210
  Hydrophobic surface: 375.228  Hydrophilic surface: 74.115
 
 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.