MMsINC Database Search


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MMsINC code: MMs02269014

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

Oc1cc(ccc1C(=O)N(C)C)-c1ccccc1

InChI:

InChI=1/C15H15NO2/c1-16(2)15(18)13-9-8-12(10-14(13)17)11-6-4-3-5-7-11/h3-10,17H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5772 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -3.48945	SlogP: 2.761	Reactive groups: 0

Topological Properties
Globularity: 0.0283457	Sterimol/B1: 2.79965	Sterimol/B2: 3.32236	Sterimol/B3: 3.81253
Sterimol/B4: 4.72921	Sterimol/L: 15.2297

Surface and Volume Properties
Accessible surface: 468.811	Positive charged surface: 295.823	Negative charged surface: 162.137	Volume: 241.5
Hydrophobic surface: 395.244	Hydrophilic surface: 73.567

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.