MMsINC Database Search


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MMsINC code: MMs00146807

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(Nc1cc(ccc1C)C)c1cc(ccc1)C(=O)Nc1cc(ccc1C)C

InChI:

InChI=1/C24H24N2O2/c1-15-8-10-17(3)21(12-15)25-23(27)19-6-5-7-20(14-19)24(28)26-22-13-16(2)9-11-18(22)4/h5-14H,1-4H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.287 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -6.59364	SlogP: 5.42488	Reactive groups: 0

Topological Properties
Globularity: 0.0137037	Sterimol/B1: 1.97897	Sterimol/B2: 2.84526	Sterimol/B3: 3.01282
Sterimol/B4: 8.72764	Sterimol/L: 19.3804

Surface and Volume Properties
Accessible surface: 683.239	Positive charged surface: 396.048	Negative charged surface: 287.191	Volume: 378.75
Hydrophobic surface: 621.356	Hydrophilic surface: 61.883

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.