MMsINC Database Search


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MMsINC code: MMs00674707

Type: Neutral
Formula: C₂₄H₁₈N₂O₂

SMILES:

O(c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1)c1cccnc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.881 kcal/mol

Physical Properties
Molecular Weight: 366.42 g/mol	logS: -6.30582	SlogP: 5.7932	Reactive groups: 0

Topological Properties
Globularity: 0.0189058	Sterimol/B1: 2.71208	Sterimol/B2: 3.86694	Sterimol/B3: 3.91009
Sterimol/B4: 4.69929	Sterimol/L: 21.7295

Surface and Volume Properties
Accessible surface: 650.926	Positive charged surface: 366.849	Negative charged surface: 273.006	Volume: 358.625
Hydrophobic surface: 597.383	Hydrophilic surface: 53.543

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.