MMsINC Database Search


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MMsINC code: MMs00196671

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O=C(Nc1ccc(cc1)C)c1cc(nc2c1cccc2)-c1ccc(cc1)C

InChI:

InChI=1/C24H20N2O/c1-16-7-11-18(12-8-16)23-15-21(20-5-3-4-6-22(20)26-23)24(27)25-19-13-9-17(2)10-14-19/h3-15H,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.686 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -7.28643	SlogP: 5.77094	Reactive groups: 0

Topological Properties
Globularity: 0.0116791	Sterimol/B1: 2.37266	Sterimol/B2: 2.61893	Sterimol/B3: 2.87601
Sterimol/B4: 11.1349	Sterimol/L: 18.1654

Surface and Volume Properties
Accessible surface: 641.9	Positive charged surface: 350.001	Negative charged surface: 281.553	Volume: 355.625
Hydrophobic surface: 596.205	Hydrophilic surface: 45.695

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.