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PUBCHEM-ZINC05884994

 MMsINC code: MMs03428416
Type: Neutral
Formula: C14H17ClN2O5
SMILES:   ClC1=CN(C2OC(C=C2)COC(=O)C(C)(C)C)C(=O)NC1=O
InChI:   InChI=1/C14H17ClN2O5/c1-14(2,3)12(19)21-7-8-4-5-10(22-8)17-6-9(15)11(18)16-13(17)20/h4-6,8,10H,7H2,1-3H3,(H,16,18,20)/t8-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=31.0601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.752 g/mol  logS: -2.83676  SlogP: 1.5977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0968458  Sterimol/B1: 2.64216  Sterimol/B2: 3.735  Sterimol/B3: 4.67887
  Sterimol/B4: 5.84648  Sterimol/L: 15.9685 
 
 Surface and Volume Properties
  Accessible surface: 557.441  Positive charged surface: 313.693  Negative charged surface: 243.747  Volume: 285.25
  Hydrophobic surface: 336.549  Hydrophilic surface: 220.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.