MMsINC Database Search


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MMsINC code: MMs00864623

Type: Neutral
Formula: C₂₄H₂₃NO

SMILES:

OC(CC=C)(CC=C)c1cc(nc(c1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H23NO/c1-3-15-24(26,16-4-2)21-17-22(19-11-7-5-8-12-19)25-23(18-21)20-13-9-6-10-14-20/h3-14,17-18,26H,1-2,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.687 kcal/mol

Physical Properties
Molecular Weight: 341.454 g/mol	logS: -6.07132	SlogP: 6.0669	Reactive groups: 0

Topological Properties
Globularity: 0.12916	Sterimol/B1: 2.43179	Sterimol/B2: 6.36572	Sterimol/B3: 6.72673
Sterimol/B4: 7.13051	Sterimol/L: 15.2097

Surface and Volume Properties
Accessible surface: 620.134	Positive charged surface: 332.216	Negative charged surface: 277.945	Volume: 363.25
Hydrophobic surface: 501.585	Hydrophilic surface: 118.549

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.