MMsINC Database Search


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MMsINC code: MMs00620643

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)CC(C)(C)C)cc1

InChI:

InChI=1/C19H23NO2/c1-19(2,3)13-18(21)20-16-9-11-17(12-10-16)22-14-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.9226 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -5.16004	SlogP: 4.9067	Reactive groups: 0

Topological Properties
Globularity: 0.0435604	Sterimol/B1: 2.43077	Sterimol/B2: 2.52371	Sterimol/B3: 4.63705
Sterimol/B4: 6.35413	Sterimol/L: 19.3227

Surface and Volume Properties
Accessible surface: 605.977	Positive charged surface: 374.42	Negative charged surface: 231.558	Volume: 312.25
Hydrophobic surface: 511.926	Hydrophilic surface: 94.051

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.