MMsINC Database Search


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MMsINC code: MMs00178100

Type: Neutral
Formula: C₁₄H₁₆N₂O₂

SMILES:

o1nc(cc1-c1ccccc1)C(=O)NC(C)(C)C

InChI:

InChI=1/C14H16N2O2/c1-14(2,3)15-13(17)11-9-12(18-16-11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.0752 kcal/mol

Physical Properties
Molecular Weight: 244.294 g/mol	logS: -3.70709	SlogP: 2.8699	Reactive groups: 0

Topological Properties
Globularity: 0.0338353	Sterimol/B1: 2.37555	Sterimol/B2: 3.00603	Sterimol/B3: 4.58212
Sterimol/B4: 4.87368	Sterimol/L: 16.2228

Surface and Volume Properties
Accessible surface: 482.148	Positive charged surface: 276.329	Negative charged surface: 205.819	Volume: 243.25
Hydrophobic surface: 366.267	Hydrophilic surface: 115.881

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.