MMsINC Database Search


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MMsINC code: MMs00226776

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O=C(Nc1ccccc1)c1cc(nc2c1cccc2C)-c1ccc(cc1)C

InChI:

InChI=1/C24H20N2O/c1-16-11-13-18(14-12-16)22-15-21(20-10-6-7-17(2)23(20)26-22)24(27)25-19-8-4-3-5-9-19/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)=118.168 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -6.97298	SlogP: 5.77094	Reactive groups: 0

Topological Properties
Globularity: 0.0141245	Sterimol/B1: 2.37624	Sterimol/B2: 2.68074	Sterimol/B3: 2.81868
Sterimol/B4: 11.0593	Sterimol/L: 17.1651

Surface and Volume Properties
Accessible surface: 629.542	Positive charged surface: 341.528	Negative charged surface: 277.667	Volume: 357
Hydrophobic surface: 586.247	Hydrophilic surface: 43.295

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.