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PUBCHEM-ZINC06626796

 MMsINC code: MMs03828722
Type: Neutral
Formula: C18H16ClN3O5
SMILES:   Clc1ccccc1COC(=O)Nc1cn(nc1)Cc1oc(cc1)C(OC)=O
InChI:   InChI=1/C18H16ClN3O5/c1-25-17(23)16-7-6-14(27-16)10-22-9-13(8-20-22)21-18(24)26-11-12-4-2-3-5-15(12)19/h2-9H,10-11H2,1H3,(H,21,24)

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Potential Energy
Epot(MMFF94)=63.2835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.795 g/mol  logS: -4.55015  SlogP: 4.2459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532712  Sterimol/B1: 2.25644  Sterimol/B2: 4.01386  Sterimol/B3: 4.88314
  Sterimol/B4: 8.18109  Sterimol/L: 20.2214 
 
 Surface and Volume Properties
  Accessible surface: 673.62  Positive charged surface: 405.829  Negative charged surface: 267.791  Volume: 341.375
  Hydrophobic surface: 518.513  Hydrophilic surface: 155.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.