MMsINC Database Search


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MMsINC code: MMs02610440

Type: Neutral
Formula: C₂₄H₁₈N₂O₂

SMILES:

O(c1ccccc1C(=O)c1ccccc1)c1ncc(cn1)-c1ccc(cc1)C

InChI:

InChI=1/C24H18N2O2/c1-17-11-13-18(14-12-17)20-15-25-24(26-16-20)28-22-10-6-5-9-21(22)23(27)19-7-3-2-4-8-19/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.957 kcal/mol

Physical Properties
Molecular Weight: 366.42 g/mol	logS: -7.6453	SlogP: 5.47532	Reactive groups: 0

Topological Properties
Globularity: 0.0768595	Sterimol/B1: 3.31028	Sterimol/B2: 4.30293	Sterimol/B3: 5.51198
Sterimol/B4: 6.63761	Sterimol/L: 17.1429

Surface and Volume Properties
Accessible surface: 647.15	Positive charged surface: 356.44	Negative charged surface: 278.701	Volume: 362.25
Hydrophobic surface: 601.701	Hydrophilic surface: 45.449

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.