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ASINEX-ZINC02302362

 MMsINC code: MMs00268307
Type: Neutral
Formula: C23H24N2O2
SMILES:   OC(C(=O)NN(CCC)c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H24N2O2/c1-2-18-25(21-16-10-5-11-17-21)24-22(26)23(27,19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-17,27H,2,18H2,1H3,(H,24,26)

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Potential Energy
Epot(MMFF94)=145.712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.457 g/mol  logS: -5.22208  SlogP: 4.1818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.248805  Sterimol/B1: 2.15832  Sterimol/B2: 3.1011  Sterimol/B3: 6.6922
  Sterimol/B4: 9.34018  Sterimol/L: 13.9618 
 
 Surface and Volume Properties
  Accessible surface: 623.999  Positive charged surface: 360.132  Negative charged surface: 263.867  Volume: 367.25
  Hydrophobic surface: 558.088  Hydrophilic surface: 65.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.