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ENAMINE-ZINC00369830

 MMsINC code: MMs01229153
Type: Neutral
Formula: C14H18Cl2N2O
SMILES:   Clc1cc(NC(=O)N2CC(CC(C2)C)C)ccc1Cl
InChI:   InChI=1/C14H18Cl2N2O/c1-9-5-10(2)8-18(7-9)14(19)17-11-3-4-12(15)13(16)6-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,19)/t9-,10+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.0451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.217 g/mol  logS: -3.94847  SlogP: 4.5032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0568529  Sterimol/B1: 2.53365  Sterimol/B2: 3.29131  Sterimol/B3: 3.44197
  Sterimol/B4: 7.09892  Sterimol/L: 15.3085 
 
 Surface and Volume Properties
  Accessible surface: 527.591  Positive charged surface: 294.768  Negative charged surface: 232.824  Volume: 275.375
  Hydrophobic surface: 451.331  Hydrophilic surface: 76.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.