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CHEMDIV-ZINC02941804

 MMsINC code: MMs00895749
Type: Neutral
Formula: C20H21N3O3
SMILES:   O(C)c1cc(N2N=C(c3c(cccc3)C2=O)C(=O)N(CC)CC)ccc1
InChI:   InChI=1/C20H21N3O3/c1-4-22(5-2)20(25)18-16-11-6-7-12-17(16)19(24)23(21-18)14-9-8-10-15(13-14)26-3/h6-13H,4-5H2,1-3H3

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Potential Energy
Epot(MMFF94)=145.45 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.406 g/mol  logS: -4.6807  SlogP: 2.9281  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0981172  Sterimol/B1: 2.40338  Sterimol/B2: 2.57966  Sterimol/B3: 4.8645
  Sterimol/B4: 10.6257  Sterimol/L: 14.7348 
 
 Surface and Volume Properties
  Accessible surface: 585.869  Positive charged surface: 391.421  Negative charged surface: 194.448  Volume: 338.625
  Hydrophobic surface: 480.06  Hydrophilic surface: 105.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.