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NCID-ZINC01733828

 MMsINC code: MMs02356199
Type: Neutral
Formula: C15H12O4
SMILES:   OC(=O)c1cc(ccc1)Cc1cc(ccc1)C(O)=O
InChI:   InChI=1/C15H12O4/c16-14(17)12-5-1-3-10(8-12)7-11-4-2-6-13(9-11)15(18)19/h1-6,8-9H,7H2,(H,16,17)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.9634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.257 g/mol  logS: -3.44006  SlogP: 2.67377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1207  Sterimol/B1: 2.51777  Sterimol/B2: 2.99326  Sterimol/B3: 4.18137
  Sterimol/B4: 6.94026  Sterimol/L: 14.3723 
 
 Surface and Volume Properties
  Accessible surface: 471.031  Positive charged surface: 260.384  Negative charged surface: 210.647  Volume: 240.375
  Hydrophobic surface: 278.463  Hydrophilic surface: 192.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02356200
NCID-ZINC01733828