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MMsINC code: MMs03148826

Type: Ionized
Formula: C₂₄H₁₇N₂O₂-

SMILES:

O=C([O-])c1ccc(cc1)C(c1c2c([nH]c1)cccc2)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C24H18N2O2/c27-24(28)16-11-9-15(10-12-16)23(19-13-25-21-7-3-1-5-17(19)21)20-14-26-22-8-4-2-6-18(20)22/h1-14,23,25-26H,(H,27,28)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.2527 kcal/mol

Physical Properties
Molecular Weight: 365.412 g/mol	logS: -5.63992	SlogP: 4.1929	Reactive groups: 0

Topological Properties
Globularity: 0.21845	Sterimol/B1: 2.38207	Sterimol/B2: 3.36872	Sterimol/B3: 5.45941
Sterimol/B4: 10.2517	Sterimol/L: 14.0237

Surface and Volume Properties
Accessible surface: 612.589	Positive charged surface: 318.88	Negative charged surface: 288.88	Volume: 355.75
Hydrophobic surface: 446.754	Hydrophilic surface: 165.835

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	Acid groups: 2	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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Parent related molecule:

MMs03148825
PUBCHEM-ZINC04660117