MMsINC Database Search


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MMsINC code: MMs00193185

Type: Neutral
Formula: C₂₂H₁₉NO₅

SMILES:

O(c1ccc(NC(=O)COc2ccc(cc2OC)C=O)cc1)c1ccccc1

InChI:

InChI=1/C22H19NO5/c1-26-21-13-16(14-24)7-12-20(21)27-15-22(25)23-17-8-10-19(11-9-17)28-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.103 kcal/mol

Physical Properties
Molecular Weight: 377.396 g/mol	logS: -5.27089	SlogP: 4.3175	Reactive groups: 1

Topological Properties
Globularity: 0.0239131	Sterimol/B1: 2.35153	Sterimol/B2: 2.8214	Sterimol/B3: 3.95421
Sterimol/B4: 8.27591	Sterimol/L: 21.1108

Surface and Volume Properties
Accessible surface: 670.238	Positive charged surface: 424.41	Negative charged surface: 245.828	Volume: 356.375
Hydrophobic surface: 547.139	Hydrophilic surface: 123.099

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.