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CHEMDIV-ZINC01661512

 MMsINC code: MMs00867448
Type: Neutral
Formula: C10H11Cl2NO3
SMILES:   Clc1cc(Cl)ccc1OCC(=O)NCCO
InChI:   InChI=1/C10H11Cl2NO3/c11-7-1-2-9(8(12)5-7)16-6-10(15)13-3-4-14/h1-2,5,14H,3-4,6H2,(H,13,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.4034 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.108 g/mol  logS: -2.87387  SlogP: 1.4807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.017145  Sterimol/B1: 2.48376  Sterimol/B2: 2.55122  Sterimol/B3: 2.8317
  Sterimol/B4: 6.49269  Sterimol/L: 15.8963 
 
 Surface and Volume Properties
  Accessible surface: 475.264  Positive charged surface: 250.026  Negative charged surface: 225.238  Volume: 221.5
  Hydrophobic surface: 371.587  Hydrophilic surface: 103.677
 
 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.