MMsINC Database Search


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MMsINC code: MMs01618541

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(CC(=O)N(CC(=O)Nc1ccc(OC)cc1)C)c1ccccc1-c1ccccc1

InChI:

InChI=1/C24H24N2O4/c1-26(16-23(27)25-19-12-14-20(29-2)15-13-19)24(28)17-30-22-11-7-6-10-21(22)18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.94 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.97503	SlogP: 3.8381	Reactive groups: 0

Topological Properties
Globularity: 0.0858153	Sterimol/B1: 2.18196	Sterimol/B2: 3.96162	Sterimol/B3: 4.58776
Sterimol/B4: 9.73333	Sterimol/L: 19.7571

Surface and Volume Properties
Accessible surface: 715.224	Positive charged surface: 475.025	Negative charged surface: 236.398	Volume: 397.25
Hydrophobic surface: 637.997	Hydrophilic surface: 77.227

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.