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MMsINC code: MMs00896319

Type: Neutral
Formula: C₂₂H₁₈N₂O₃

SMILES:

O(Cc1ccccc1)c1ccc(-n2c3c(nc2C)cc(cc3)C(O)=O)cc1

InChI:

InChI=1/C22H18N2O3/c1-15-23-20-13-17(22(25)26)7-12-21(20)24(15)18-8-10-19(11-9-18)27-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.145 kcal/mol

Physical Properties
Molecular Weight: 358.397 g/mol	logS: -5.30242	SlogP: 4.87752	Reactive groups: 0

Topological Properties
Globularity: 0.0290127	Sterimol/B1: 2.18493	Sterimol/B2: 3.09517	Sterimol/B3: 3.82977
Sterimol/B4: 8.83058	Sterimol/L: 20.2193

Surface and Volume Properties
Accessible surface: 637.054	Positive charged surface: 358.079	Negative charged surface: 278.975	Volume: 342.5
Hydrophobic surface: 507.308	Hydrophilic surface: 129.746

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

MMs00896320
CHEMDIV-ZINC02944881