MMsINC Database Search


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MMsINC code: MMs00583545

Type: Neutral
Formula: C₁₆H₁₆N₂O₂

SMILES:

O=C(N(C)c1ccccc1)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C16H16N2O2/c1-12(19)17-14-10-8-13(9-11-14)16(20)18(2)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.481 kcal/mol

Physical Properties
Molecular Weight: 268.316 g/mol	logS: -3.45833	SlogP: 2.9216	Reactive groups: 0

Topological Properties
Globularity: 0.0190632	Sterimol/B1: 2.75399	Sterimol/B2: 3.0451	Sterimol/B3: 3.18131
Sterimol/B4: 4.96145	Sterimol/L: 17.1985

Surface and Volume Properties
Accessible surface: 501.575	Positive charged surface: 300.871	Negative charged surface: 200.704	Volume: 261.875
Hydrophobic surface: 424.618	Hydrophilic surface: 76.957

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.