MMsINC Database Search


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MMsINC code: MMs00608189

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

Oc1ccccc1C(=O)Nc1cc(cc(c1)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8946 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -3.94076	SlogP: 3.26134	Reactive groups: 0

Topological Properties
Globularity: 0.0368779	Sterimol/B1: 2.22418	Sterimol/B2: 2.70769	Sterimol/B3: 3.29995
Sterimol/B4: 6.81837	Sterimol/L: 14.5733

Surface and Volume Properties
Accessible surface: 478.36	Positive charged surface: 286.692	Negative charged surface: 191.668	Volume: 243.375
Hydrophobic surface: 404.834	Hydrophilic surface: 73.526

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.