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ASINEX-ZINC00199411

 MMsINC code: MMs00090973
Type: Neutral
Formula: C19H25NO5
SMILES:   O1C(C)(C)C(OC1(C)C)COc1c2N(C)C(=O)C=C(OC)c2ccc1
InChI:   InChI=1/C19H25NO5/c1-18(2)15(24-19(3,4)25-18)11-23-13-9-7-8-12-14(22-6)10-16(21)20(5)17(12)13/h7-10,15H,11H2,1-6H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=114.16 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.411 g/mol  logS: -4.04491  SlogP: 2.9592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685606  Sterimol/B1: 2.01311  Sterimol/B2: 4.116  Sterimol/B3: 6.09878
  Sterimol/B4: 6.1389  Sterimol/L: 16.7465 
 
 Surface and Volume Properties
  Accessible surface: 598.4  Positive charged surface: 422.031  Negative charged surface: 176.369  Volume: 338.5
  Hydrophobic surface: 469.725  Hydrophilic surface: 128.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.