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CHEMDIV-ZINC01154576

 MMsINC code: MMs00863403
Type: Neutral
Formula: C23H17NO5
SMILES:   O(c1cc(C)c(cc1)C)c1cc2c(cc1)C(=O)N(C2=O)c1cc(ccc1)C(O)=O
InChI:   InChI=1/C23H17NO5/c1-13-6-7-17(10-14(13)2)29-18-8-9-19-20(12-18)22(26)24(21(19)25)16-5-3-4-15(11-16)23(27)28/h3-12H,1-2H3,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.391 g/mol  logS: -6.45854  SlogP: 4.59454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0530774  Sterimol/B1: 2.50879  Sterimol/B2: 3.49452  Sterimol/B3: 5.55983
  Sterimol/B4: 6.08041  Sterimol/L: 20.2653 
 
 Surface and Volume Properties
  Accessible surface: 640.325  Positive charged surface: 347.907  Negative charged surface: 292.417  Volume: 354.75
  Hydrophobic surface: 473.009  Hydrophilic surface: 167.316
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00863404
CHEMDIV-ZINC01154576