MMsINC Database Search


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MMsINC code: MMs02790056

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

O(CC(=O)Nc1ncccc1)c1cc(cc(c1)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.0616 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -3.43265	SlogP: 2.71594	Reactive groups: 0

Topological Properties
Globularity: 0.0074244	Sterimol/B1: 2.09836	Sterimol/B2: 2.5072	Sterimol/B3: 2.51699
Sterimol/B4: 7.23847	Sterimol/L: 16.7026

Surface and Volume Properties
Accessible surface: 523.363	Positive charged surface: 337.736	Negative charged surface: 185.628	Volume: 258.125
Hydrophobic surface: 451.659	Hydrophilic surface: 71.704

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.