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ASINEX-ZINC04852200

 MMsINC code: MMs00382427
Type: Neutral
Formula: C24H24N2O3
SMILES:   OC(CCC)(C(=O)NN(C(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H24N2O3/c1-2-18-24(29,20-14-8-4-9-15-20)23(28)25-26(21-16-10-5-11-17-21)22(27)19-12-6-3-7-13-19/h3-17,29H,2,18H2,1H3,(H,25,28)/t24-/m0/s1

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Potential Energy
Epot(MMFF94)=174.108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -6.14293  SlogP: 4.364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187988  Sterimol/B1: 2.69701  Sterimol/B2: 5.45134  Sterimol/B3: 5.90951
  Sterimol/B4: 7.78516  Sterimol/L: 14.8919 
 
 Surface and Volume Properties
  Accessible surface: 632.372  Positive charged surface: 350.871  Negative charged surface: 281.501  Volume: 384.25
  Hydrophobic surface: 542.133  Hydrophilic surface: 90.239
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.