MMsINC Database Search


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MMsINC code: MMs00620436

Type: Neutral
Formula: C₁₉H₂₂N₂O₃

SMILES:

O(C)c1cc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1

InChI:

InChI=1/C19H22N2O3/c1-19(2,3)18(23)21-14-10-8-13(9-11-14)17(22)20-15-6-5-7-16(12-15)24-4/h5-12H,1-4H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.935 kcal/mol

Physical Properties
Molecular Weight: 326.396 g/mol	logS: -4.22001	SlogP: 3.9321	Reactive groups: 0

Topological Properties
Globularity: 0.0248106	Sterimol/B1: 2.483	Sterimol/B2: 3.21173	Sterimol/B3: 4.67423
Sterimol/B4: 5.30917	Sterimol/L: 19.314

Surface and Volume Properties
Accessible surface: 612.386	Positive charged surface: 392.59	Negative charged surface: 219.796	Volume: 327.125
Hydrophobic surface: 488.2	Hydrophilic surface: 124.186

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.