MMsINC Database Search


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MMsINC code: MMs01647620

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(CC(=O)c1cc(n(Cc2ccccc2)c1C)C)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C23H24N2O3/c1-16-13-22(17(2)25(16)14-19-7-5-4-6-8-19)23(27)15-28-21-11-9-20(10-12-21)24-18(3)26/h4-13H,14-15H2,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.226 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -4.47587	SlogP: 4.63974	Reactive groups: 0

Topological Properties
Globularity: 0.0504975	Sterimol/B1: 2.21772	Sterimol/B2: 2.79505	Sterimol/B3: 5.92588
Sterimol/B4: 7.1261	Sterimol/L: 20.7738

Surface and Volume Properties
Accessible surface: 675.273	Positive charged surface: 396.894	Negative charged surface: 278.379	Volume: 377.625
Hydrophobic surface: 567.694	Hydrophilic surface: 107.579

Pharmacophoric Properties
Hydrogen bond donors: 1	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.