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ENAMINE-ZINC04966355

 MMsINC code: MMs01570608
Type: Neutral
Formula: C11H10ClNO4
SMILES:   Clc1cc(N)c(cc1)C(OC1CCOC1=O)=O
InChI:   InChI=1/C11H10ClNO4/c12-6-1-2-7(8(13)5-6)10(14)17-9-3-4-16-11(9)15/h1-2,5,9H,3-4,13H2/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=62.1591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.657 g/mol  logS: -2.98056  SlogP: 1.3945  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472884  Sterimol/B1: 2.5557  Sterimol/B2: 3.34434  Sterimol/B3: 3.34506
  Sterimol/B4: 6.0806  Sterimol/L: 14.3277 
 
 Surface and Volume Properties
  Accessible surface: 445.275  Positive charged surface: 243.038  Negative charged surface: 202.237  Volume: 213.5
  Hydrophobic surface: 306.096  Hydrophilic surface: 139.179
 
 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.