MMsINC Database Search


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MMsINC code: MMs01902532

Type: Neutral
Formula: C₂₂H₁₆N₂O₃

SMILES:

Oc1ccccc1\C=C\C1=Nc2c(cccc2)C(=O)N1c1ccc(O)cc1

InChI:

InChI=1/C22H16N2O3/c25-17-12-10-16(11-13-17)24-21(14-9-15-5-1-4-8-20(15)26)23-19-7-3-2-6-18(19)22(24)27/h1-14,25-26H/b14-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.959 kcal/mol

Physical Properties
Molecular Weight: 356.381 g/mol	logS: -5.45914	SlogP: 4.5016	Reactive groups: 0

Topological Properties
Globularity: 0.0494225	Sterimol/B1: 3.58853	Sterimol/B2: 3.6741	Sterimol/B3: 5.26275
Sterimol/B4: 7.8286	Sterimol/L: 16.2507

Surface and Volume Properties
Accessible surface: 612.461	Positive charged surface: 339.378	Negative charged surface: 273.083	Volume: 338.75
Hydrophobic surface: 474.854	Hydrophilic surface: 137.607

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: no related molecules available.