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ASINEX-ZINC04399976

 MMsINC code: MMs00332862
Type: Neutral
Formula: C11H11ClN2O
SMILES:   Clc1n(C)c(nc1)C(O)c1ccccc1
InChI:   InChI=1/C11H11ClN2O/c1-14-9(12)7-13-11(14)10(15)8-5-3-2-4-6-8/h2-7,10,15H,1H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=44.0247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.675 g/mol  logS: -2.2994  SlogP: 2.6099  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178795  Sterimol/B1: 2.22552  Sterimol/B2: 3.93918  Sterimol/B3: 4.04912
  Sterimol/B4: 5.77632  Sterimol/L: 12.3751 
 
 Surface and Volume Properties
  Accessible surface: 415.627  Positive charged surface: 229.292  Negative charged surface: 186.335  Volume: 206.125
  Hydrophobic surface: 366.629  Hydrophilic surface: 48.998
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.