MMsINC Database Search


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MMsINC code: MMs00893445

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(C)c1ccc(cc1)CNC(=O)Cn1c(cc(C(=O)C)c1C)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.005 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -4.7338	SlogP: 4.52392	Reactive groups: 0

Topological Properties
Globularity: 0.0294859	Sterimol/B1: 2.1273	Sterimol/B2: 2.44395	Sterimol/B3: 4.23919
Sterimol/B4: 10.1354	Sterimol/L: 19.7911

Surface and Volume Properties
Accessible surface: 671.822	Positive charged surface: 417.828	Negative charged surface: 253.994	Volume: 376.75
Hydrophobic surface: 583.701	Hydrophilic surface: 88.121

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.