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CHEMBRIDGE-ZINC00273138

 MMsINC code: MMs00599738
Type: Neutral
Formula: C7H9ClNO2P
SMILES:   Clc1ccc(OP(=O)(N)C)cc1
InChI:   InChI=1/C7H9ClNO2P/c1-12(9,10)11-7-4-2-6(8)3-5-7/h2-5H,1H3,(H2,9,10)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=11.4334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.581 g/mol  logS: -1.87911  SlogP: 1.4302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0951032  Sterimol/B1: 2.28035  Sterimol/B2: 2.50157  Sterimol/B3: 3.62112
  Sterimol/B4: 5.07286  Sterimol/L: 12.1642 
 
 Surface and Volume Properties
  Accessible surface: 372.303  Positive charged surface: 176.064  Negative charged surface: 196.239  Volume: 171.375
  Hydrophobic surface: 247.795  Hydrophilic surface: 124.508
 
 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.