MMsINC Database Search


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MMsINC code: MMs01976529

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

Oc1ccc(cc1)C(=O)Nc1cc(ccc1C)C

InChI:

InChI=1/C15H15NO2/c1-10-3-4-11(2)14(9-10)16-15(18)12-5-7-13(17)8-6-12/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)=70.7502 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -3.62731	SlogP: 3.26134	Reactive groups: 0

Topological Properties
Globularity: 0.0199187	Sterimol/B1: 2.11106	Sterimol/B2: 2.35006	Sterimol/B3: 2.80596
Sterimol/B4: 7.33943	Sterimol/L: 14.8289

Surface and Volume Properties
Accessible surface: 480.42	Positive charged surface: 278.088	Negative charged surface: 202.332	Volume: 241.5
Hydrophobic surface: 398.839	Hydrophilic surface: 81.581

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.