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ENAMINE-ZINC03348827

 MMsINC code: MMs01388178
Type: Neutral
Formula: C23H16ClN3O2
SMILES:   Clc1ccc(cc1)-c1nc(O)c-2n1N(Cc1ccccc1)C(=O)c1c-2cccc1
InChI:   InChI=1/C23H16ClN3O2/c24-17-12-10-16(11-13-17)21-25-22(28)20-18-8-4-5-9-19(18)23(29)26(27(20)21)14-15-6-2-1-3-7-15/h1-13,28H,14H2

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Potential Energy
Epot(MMFF94)=120.319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.853 g/mol  logS: -7.71635  SlogP: 5.1345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117213  Sterimol/B1: 2.44998  Sterimol/B2: 3.2863  Sterimol/B3: 4.41822
  Sterimol/B4: 9.89657  Sterimol/L: 16.0946 
 
 Surface and Volume Properties
  Accessible surface: 611.153  Positive charged surface: 300.374  Negative charged surface: 310.779  Volume: 359.875
  Hydrophobic surface: 509.898  Hydrophilic surface: 101.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.