MMsINC Database Search


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MMsINC code: MMs00757894

Type: Neutral
Formula: C₁₆H₁₆N₂O₂

SMILES:

O=C(C)c1cc(NC(=O)Nc2ccccc2C)ccc1

InChI:

InChI=1/C16H16N2O2/c1-11-6-3-4-9-15(11)18-16(20)17-14-8-5-7-13(10-14)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)=75.714 kcal/mol

Physical Properties
Molecular Weight: 268.316 g/mol	logS: -3.72479	SlogP: 3.84162	Reactive groups: 0

Topological Properties
Globularity: 0.015674	Sterimol/B1: 2.27873	Sterimol/B2: 2.71118	Sterimol/B3: 3.14521
Sterimol/B4: 6.65096	Sterimol/L: 15.1341

Surface and Volume Properties
Accessible surface: 512.973	Positive charged surface: 292.45	Negative charged surface: 220.524	Volume: 264.5
Hydrophobic surface: 421.213	Hydrophilic surface: 91.76

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.