MMsINC Database Search


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MMsINC code: MMs00893438

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O=C(C)c1cc(n(CC(=O)Nc2cc(ccc2)CC)c1C)-c1ccccc1

InChI:

InChI=1/C23H24N2O2/c1-4-18-9-8-12-20(13-18)24-23(27)15-25-16(2)21(17(3)26)14-22(25)19-10-6-5-7-11-19/h5-14H,4,15H2,1-3H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.739 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.72852	SlogP: 5.13359	Reactive groups: 0

Topological Properties
Globularity: 0.0816177	Sterimol/B1: 3.15521	Sterimol/B2: 4.65993	Sterimol/B3: 6.0209
Sterimol/B4: 6.05006	Sterimol/L: 17.2215

Surface and Volume Properties
Accessible surface: 645.012	Positive charged surface: 382.964	Negative charged surface: 262.048	Volume: 372.125
Hydrophobic surface: 550.656	Hydrophilic surface: 94.356

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.