MMsINC Database Search


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MMsINC code: MMs02620404

Type: Neutral
Formula: C₂₄H₁₉NO₂

SMILES:

O=C(c1n(c2c(cccc2)c1C)CC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H19NO2/c1-17-20-14-8-9-15-21(20)25(16-22(26)18-10-4-2-5-11-18)23(17)24(27)19-12-6-3-7-13-19/h2-15H,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.9405 kcal/mol

Physical Properties
Molecular Weight: 353.421 g/mol	logS: -6.05424	SlogP: 5.33002	Reactive groups: 0

Topological Properties
Globularity: 0.175469	Sterimol/B1: 2.43137	Sterimol/B2: 5.86286	Sterimol/B3: 6.21895
Sterimol/B4: 7.75307	Sterimol/L: 14.4106

Surface and Volume Properties
Accessible surface: 619.979	Positive charged surface: 318.371	Negative charged surface: 297.085	Volume: 356.625
Hydrophobic surface: 576.796	Hydrophilic surface: 43.183

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.