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OAKWOOD-ZINC02518281

 MMsINC code: MMs02544154
Type: Neutral
Formula: C14H18ClNO5
SMILES:   Clc1ccc(cc1)C(O)C(NC(OC(C)(C)C)=O)C(O)=O
InChI:   InChI=1/C14H18ClNO5/c1-14(2,3)21-13(20)16-10(12(18)19)11(17)8-4-6-9(15)7-5-8/h4-7,10-11,17H,1-3H3,(H,16,20)(H,18,19)/t10-,11+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.8113 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.753 g/mol  logS: -3.11705  SlogP: 2.4468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143082  Sterimol/B1: 2.14909  Sterimol/B2: 4.84406  Sterimol/B3: 5.18812
  Sterimol/B4: 7.59073  Sterimol/L: 12.4959 
 
 Surface and Volume Properties
  Accessible surface: 543.099  Positive charged surface: 286.783  Negative charged surface: 256.315  Volume: 280.5
  Hydrophobic surface: 346.027  Hydrophilic surface: 197.072
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02544155
OAKWOOD-ZINC02518281