MMsINC Database Search


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MMsINC code: MMs02788544

Type: Neutral
Formula: C₂₄H₁₈N₂O₂

SMILES:

O=C(Nc1cc(NC(=O)c2ccccc2)ccc1)c1cc2c(cc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.097 kcal/mol

Physical Properties
Molecular Weight: 366.42 g/mol	logS: -7.20274	SlogP: 5.3444	Reactive groups: 0

Topological Properties
Globularity: 0.0189205	Sterimol/B1: 2.61068	Sterimol/B2: 3.1174	Sterimol/B3: 3.50908
Sterimol/B4: 8.26352	Sterimol/L: 20.5406

Surface and Volume Properties
Accessible surface: 649.164	Positive charged surface: 338.668	Negative charged surface: 299.67	Volume: 356.25
Hydrophobic surface: 575.439	Hydrophilic surface: 73.725

Pharmacophoric Properties
Hydrogen bond donors: 2	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.