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ENAMINE-ZINC05834484

 MMsINC code: MMs01642098
Type: Neutral
Formula: C18H23Cl2NO3
SMILES:   Clc1cc(ccc1Cl)CC(OCC(=O)NC1CCCC(C)C1C)=O
InChI:   InChI=1/C18H23Cl2NO3/c1-11-4-3-5-16(12(11)2)21-17(22)10-24-18(23)9-13-6-7-14(19)15(20)8-13/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,21,22)/t11-,12-,16+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.4536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.292 g/mol  logS: -5.65736  SlogP: 4.01997  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0413549  Sterimol/B1: 3.12111  Sterimol/B2: 3.18725  Sterimol/B3: 3.83545
  Sterimol/B4: 5.87504  Sterimol/L: 20.3869 
 
 Surface and Volume Properties
  Accessible surface: 638.608  Positive charged surface: 365.627  Negative charged surface: 272.981  Volume: 341.5
  Hydrophobic surface: 525.773  Hydrophilic surface: 112.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.