MMsINC Database Search


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MMsINC code: MMs00249976

Type: Neutral
Formula: C₁₄H₁₆N₂O₂

SMILES:

o1nc(C)c(C(=O)NCc2ccc(cc2)C)c1C

InChI:

InChI=1/C14H16N2O2/c1-9-4-6-12(7-5-9)8-15-14(17)13-10(2)16-18-11(13)3/h4-7H,8H2,1-3H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.7699 kcal/mol

Physical Properties
Molecular Weight: 244.294 g/mol	logS: -3.04596	SlogP: 2.79626	Reactive groups: 0

Topological Properties
Globularity: 0.0914353	Sterimol/B1: 2.39308	Sterimol/B2: 4.58159	Sterimol/B3: 4.65804
Sterimol/B4: 4.9367	Sterimol/L: 14.3316

Surface and Volume Properties
Accessible surface: 507.525	Positive charged surface: 282.953	Negative charged surface: 224.572	Volume: 245.5
Hydrophobic surface: 436.959	Hydrophilic surface: 70.566

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.