MMsINC Database Search


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MMsINC code: MMs03460170

Type: Neutral
Formula: C₁₆H₁₆N₂O₂

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2098 kcal/mol

Physical Properties
Molecular Weight: 268.316 g/mol	logS: -3.39501	SlogP: 3.0111	Reactive groups: 0

Topological Properties
Globularity: 0.0355102	Sterimol/B1: 2.40189	Sterimol/B2: 4.00108	Sterimol/B3: 4.25929
Sterimol/B4: 4.36151	Sterimol/L: 16.9211

Surface and Volume Properties
Accessible surface: 512.917	Positive charged surface: 336.485	Negative charged surface: 176.432	Volume: 267.25
Hydrophobic surface: 442.432	Hydrophilic surface: 70.485

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.