MMsINC Database Search


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MMsINC code: MMs00866924

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O=C(NCc1ccccc1)c1cc(nc2c1cccc2C)-c1ccccc1

InChI:

InChI=1/C24H20N2O/c1-17-9-8-14-20-21(24(27)25-16-18-10-4-2-5-11-18)15-22(26-23(17)20)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0571 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -6.4431	SlogP: 5.40662	Reactive groups: 0

Topological Properties
Globularity: 0.0396867	Sterimol/B1: 3.66292	Sterimol/B2: 3.73914	Sterimol/B3: 5.44898
Sterimol/B4: 8.68871	Sterimol/L: 16.4891

Surface and Volume Properties
Accessible surface: 638.752	Positive charged surface: 350.767	Negative charged surface: 277.083	Volume: 356.75
Hydrophobic surface: 584.517	Hydrophilic surface: 54.235

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.