MMsINC Database Search


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MMsINC code: MMs02688251

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

O(C)c1ccccc1C(=O)Nc1nc(cc(c1)C)C

InChI:

InChI=1/C15H16N2O2/c1-10-8-11(2)16-14(9-10)17-15(18)12-6-4-5-7-13(12)19-3/h4-9H,1-3H3,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3725 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -3.24568	SlogP: 2.95934	Reactive groups: 0

Topological Properties
Globularity: 0.0102106	Sterimol/B1: 2.5284	Sterimol/B2: 2.66674	Sterimol/B3: 3.32639
Sterimol/B4: 6.67494	Sterimol/L: 14.6879

Surface and Volume Properties
Accessible surface: 507.559	Positive charged surface: 339.254	Negative charged surface: 168.305	Volume: 255.5
Hydrophobic surface: 458.435	Hydrophilic surface: 49.124

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.