MMsINC Database Search


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MMsINC code: MMs00808855

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O=C1N(Cc2ccccc2)C(=Nc2c1cccc2)\C=C\c1ccc(cc1)C

InChI:

InChI=1/C24H20N2O/c1-18-11-13-19(14-12-18)15-16-23-25-22-10-6-5-9-21(22)24(27)26(23)17-20-7-3-2-4-8-20/h2-16H,17H2,1H3/b16-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7867 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -6.601	SlogP: 5.66082	Reactive groups: 0

Topological Properties
Globularity: 0.0631205	Sterimol/B1: 3.68875	Sterimol/B2: 3.90926	Sterimol/B3: 5.37785
Sterimol/B4: 7.22147	Sterimol/L: 17.0038

Surface and Volume Properties
Accessible surface: 625.053	Positive charged surface: 343.216	Negative charged surface: 281.837	Volume: 355.125
Hydrophobic surface: 579.015	Hydrophilic surface: 46.038

Pharmacophoric Properties
Hydrogen bond donors: 0	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.