MMsINC Database Search


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MMsINC code: MMs00286703

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

Oc1ccccc1C(=O)NN=C(\C=C\c1ccccc1)\C=C\c1ccccc1

InChI:

InChI=1/C24H20N2O2/c27-23-14-8-7-13-22(23)24(28)26-25-21(17-15-19-9-3-1-4-10-19)18-16-20-11-5-2-6-12-20/h1-18,27H,(H,26,28)/b17-15+,18-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.314 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.25454	SlogP: 4.9048	Reactive groups: 0

Topological Properties
Globularity: 0.00118963	Sterimol/B1: 2.17472	Sterimol/B2: 2.26689	Sterimol/B3: 4.12373
Sterimol/B4: 10.656	Sterimol/L: 18.5128

Surface and Volume Properties
Accessible surface: 679.494	Positive charged surface: 337.658	Negative charged surface: 341.836	Volume: 369.75
Hydrophobic surface: 583.992	Hydrophilic surface: 95.502

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.