MMsINC Database Search


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MMsINC code: MMs01748119

Type: Neutral
Formula: C₁₆H₁₈N₂O₂

SMILES:

O(C)c1cc(ccc1)C(=O)N(CCc1ncccc1)C

InChI:

InChI=1/C16H18N2O2/c1-18(11-9-14-7-3-4-10-17-14)16(19)13-6-5-8-15(12-13)20-2/h3-8,10,12H,9,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.2297 kcal/mol

Physical Properties
Molecular Weight: 270.332 g/mol	logS: -2.19955	SlogP: 2.40487	Reactive groups: 0

Topological Properties
Globularity: 0.0442273	Sterimol/B1: 2.22609	Sterimol/B2: 3.26715	Sterimol/B3: 3.66039
Sterimol/B4: 5.7653	Sterimol/L: 17.5154

Surface and Volume Properties
Accessible surface: 526.001	Positive charged surface: 374.307	Negative charged surface: 151.694	Volume: 272.125
Hydrophobic surface: 479.315	Hydrophilic surface: 46.686

Pharmacophoric Properties
Hydrogen bond donors: 0	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.