MMsINC Database Search


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MMsINC code: MMs02788759

Type: Neutral
Formula: C₂₃H₂₃NO₄

SMILES:

O(C)c1ccc(cc1)C(NC(=O)c1ccc(OC)cc1)c1ccc(OC)cc1

InChI:

InChI=1/C23H23NO4/c1-26-19-10-4-16(5-11-19)22(17-6-12-20(27-2)13-7-17)24-23(25)18-8-14-21(28-3)15-9-18/h4-15,22H,1-3H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.22 kcal/mol

Physical Properties
Molecular Weight: 377.44 g/mol	logS: -5.21795	SlogP: 4.3273	Reactive groups: 0

Topological Properties
Globularity: 0.192672	Sterimol/B1: 2.32107	Sterimol/B2: 2.85353	Sterimol/B3: 5.77424
Sterimol/B4: 12.3276	Sterimol/L: 15.4901

Surface and Volume Properties
Accessible surface: 678.695	Positive charged surface: 459.635	Negative charged surface: 219.06	Volume: 371.75
Hydrophobic surface: 616.404	Hydrophilic surface: 62.291

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.