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MMsINC code: MMs01368857

Type: Neutral
Formula: C₂₄H₂₄N₂O₅

SMILES:

o1cccc1C(=O)Nc1ccccc1C(OCC(=O)N(Cc1ccccc1)C(C)C)=O

InChI:

InChI=1/C24H24N2O5/c1-17(2)26(15-18-9-4-3-5-10-18)22(27)16-31-24(29)19-11-6-7-12-20(19)25-23(28)21-13-8-14-30-21/h3-14,17H,15-16H2,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.081 kcal/mol

Physical Properties
Molecular Weight: 420.465 g/mol	logS: -5.97707	SlogP: 4.3923	Reactive groups: 0

Topological Properties
Globularity: 0.0617929	Sterimol/B1: 3.55463	Sterimol/B2: 3.60279	Sterimol/B3: 4.71141
Sterimol/B4: 9.01901	Sterimol/L: 18.2051

Surface and Volume Properties
Accessible surface: 709.803	Positive charged surface: 408.077	Negative charged surface: 301.725	Volume: 402.125
Hydrophobic surface: 575.029	Hydrophilic surface: 134.774

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.