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PUBCHEM-ZINC03711312

 MMsINC code: MMs03054220
Type: Neutral
Formula: C14H13Cl2N3O
SMILES:   Clc1cc(ccc1Cl)C=1NC(=O)N=C2NCCCCC=12
InChI:   InChI=1/C14H13Cl2N3O/c15-10-5-4-8(7-11(10)16)12-9-3-1-2-6-17-13(9)19-14(20)18-12/h4-5,7H,1-3,6H2,(H2,17,18,19,20)

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Potential Energy
Epot(MMFF94)=48.4626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.184 g/mol  logS: -4.48699  SlogP: 3.5997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103194  Sterimol/B1: 2.56523  Sterimol/B2: 4.47425  Sterimol/B3: 5.35488
  Sterimol/B4: 5.82499  Sterimol/L: 13.59 
 
 Surface and Volume Properties
  Accessible surface: 493.033  Positive charged surface: 248.857  Negative charged surface: 244.176  Volume: 259.5
  Hydrophobic surface: 359.726  Hydrophilic surface: 133.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.