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PUBCHEM-ZINC05336488

 MMsINC code: MMs03243609
Type: Neutral
Formula: C23H18ClN3O2
SMILES:   Clc1ccccc1-c1noc(C)c1C(=O)N(Cc1ccccc1)c1ncccc1
InChI:   InChI=1/C23H18ClN3O2/c1-16-21(22(26-29-16)18-11-5-6-12-19(18)24)23(28)27(20-13-7-8-14-25-20)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3

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Potential Energy
Epot(MMFF94)=126.7 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.869 g/mol  logS: -6.15911  SlogP: 5.81182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.307641  Sterimol/B1: 2.23092  Sterimol/B2: 2.79719  Sterimol/B3: 5.51056
  Sterimol/B4: 9.84482  Sterimol/L: 14.2571 
 
 Surface and Volume Properties
  Accessible surface: 593.074  Positive charged surface: 308.637  Negative charged surface: 284.437  Volume: 371.5
  Hydrophobic surface: 553.035  Hydrophilic surface: 40.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.