MMsINC Database Search


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MMsINC code: MMs01347433

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(CC(=O)Nc1ccc(cc1)C(=O)C)c1ccccc1CNc1cc(OC)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.167 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.3587	SlogP: 4.7938	Reactive groups: 0

Topological Properties
Globularity: 0.0681289	Sterimol/B1: 3.6439	Sterimol/B2: 4.31904	Sterimol/B3: 6.02934
Sterimol/B4: 9.35445	Sterimol/L: 16.9985

Surface and Volume Properties
Accessible surface: 729.651	Positive charged surface: 465.441	Negative charged surface: 264.21	Volume: 395.25
Hydrophobic surface: 613.491	Hydrophilic surface: 116.16

Pharmacophoric Properties
Hydrogen bond donors: 2	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.