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CHEMDIV-ZINC06769767

 MMsINC code: MMs01018654
Type: Neutral
Formula: C23H22N2O4
SMILES:   O(CCCNC(=O)c1c-2n(Cc3c-2cccc3)c(-c2ccccc2)c1C(O)=O)C
InChI:   InChI=1/C23H22N2O4/c1-29-13-7-12-24-22(26)18-19(23(27)28)20(15-8-3-2-4-9-15)25-14-16-10-5-6-11-17(16)21(18)25/h2-6,8-11H,7,12-14H2,1H3,(H,24,26)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.2199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.439 g/mol  logS: -5.09481  SlogP: 3.9147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602647  Sterimol/B1: 2.94213  Sterimol/B2: 4.2658  Sterimol/B3: 5.09759
  Sterimol/B4: 9.0532  Sterimol/L: 18.6029 
 
 Surface and Volume Properties
  Accessible surface: 682.994  Positive charged surface: 433.025  Negative charged surface: 249.969  Volume: 377.75
  Hydrophobic surface: 542.488  Hydrophilic surface: 140.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs01018655
CHEMDIV-ZINC06769767