MMsINC Database Search


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MMsINC code: MMs00615532

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

O(C)c1ccc(NC(=O)Nc2ccccc2C)cc1

InChI:

InChI=1/C15H16N2O2/c1-11-5-3-4-6-14(11)17-15(18)16-12-7-9-13(19-2)10-8-12/h3-10H,1-2H3,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8192 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -3.4629	SlogP: 3.64762	Reactive groups: 0

Topological Properties
Globularity: 0.0319233	Sterimol/B1: 2.08839	Sterimol/B2: 2.81629	Sterimol/B3: 3.38557
Sterimol/B4: 6.61396	Sterimol/L: 16.7924

Surface and Volume Properties
Accessible surface: 499.1	Positive charged surface: 328.648	Negative charged surface: 170.453	Volume: 254
Hydrophobic surface: 440.464	Hydrophilic surface: 58.636

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.