MMsINC Database Search


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MMsINC code: MMs01522552

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(cc1OC)C(=O)C

InChI:

InChI=1/C24H23NO4/c1-17(26)20-13-14-21(22(15-20)28-2)29-16-23(27)25-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,24H,16H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.844 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -5.50628	SlogP: 4.2779	Reactive groups: 0

Topological Properties
Globularity: 0.0934605	Sterimol/B1: 3.05535	Sterimol/B2: 4.0851	Sterimol/B3: 5.38551
Sterimol/B4: 7.87033	Sterimol/L: 17.9826

Surface and Volume Properties
Accessible surface: 702.801	Positive charged surface: 422.956	Negative charged surface: 279.845	Volume: 385
Hydrophobic surface: 610.61	Hydrophilic surface: 92.191

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.