MMsINC Database Search


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MMsINC code: MMs01283713

Type: Neutral
Formula: C₁₆H₁₆N₂O₂

SMILES:

O=C(C)c1ccccc1NC(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C16H16N2O2/c1-11-6-5-7-13(10-11)17-16(20)18-15-9-4-3-8-14(15)12(2)19/h3-10H,1-2H3,(H2,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7201 kcal/mol

Physical Properties
Molecular Weight: 268.316 g/mol	logS: -4.03824	SlogP: 3.84162	Reactive groups: 0

Topological Properties
Globularity: 0.0731367	Sterimol/B1: 2.30506	Sterimol/B2: 3.25931	Sterimol/B3: 4.73374
Sterimol/B4: 5.64891	Sterimol/L: 14.8797

Surface and Volume Properties
Accessible surface: 521.502	Positive charged surface: 306.725	Negative charged surface: 214.777	Volume: 263.875
Hydrophobic surface: 438.363	Hydrophilic surface: 83.139

Pharmacophoric Properties
Hydrogen bond donors: 2	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.