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NCID-ZINC01691527

 MMsINC code: MMs02323574
Type: Neutral
Formula: C21H18N2O2
SMILES:   O=C(Cc1ccccc1)c1ccccc1C(=O)NNc1ccccc1
InChI:   InChI=1/C21H18N2O2/c24-20(15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)21(25)23-22-17-11-5-2-6-12-17/h1-14,22H,15H2,(H,23,25)

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Potential Energy
Epot(MMFF94)=117.28 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.387 g/mol  logS: -5.18644  SlogP: 3.86887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0167874  Sterimol/B1: 2.62881  Sterimol/B2: 2.98817  Sterimol/B3: 3.29841
  Sterimol/B4: 10.0056  Sterimol/L: 17.3758 
 
 Surface and Volume Properties
  Accessible surface: 598.839  Positive charged surface: 325.107  Negative charged surface: 273.732  Volume: 325.625
  Hydrophobic surface: 538.773  Hydrophilic surface: 60.066
 
 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.