MMsINC Database Search


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MMsINC code: MMs00661639

Type: Neutral
Formula: C₂₃H₂₀N₂O₅

SMILES:

O(C(=O)C)c1cc(ccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1

InChI:

InChI=1/C23H20N2O5/c1-15(26)30-19-7-5-6-16(14-19)22(27)25-21-9-4-3-8-20(21)23(28)24-17-10-12-18(29-2)13-11-17/h3-14H,1-2H3,(H,24,28)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.206 kcal/mol

Physical Properties
Molecular Weight: 404.422 g/mol	logS: -5.72876	SlogP: 4.1251	Reactive groups: 0

Topological Properties
Globularity: 0.04747	Sterimol/B1: 2.32388	Sterimol/B2: 5.04294	Sterimol/B3: 5.30734
Sterimol/B4: 9.80497	Sterimol/L: 18.1878

Surface and Volume Properties
Accessible surface: 700.771	Positive charged surface: 419.231	Negative charged surface: 281.541	Volume: 378.375
Hydrophobic surface: 587.014	Hydrophilic surface: 113.757

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.