MMsINC Database Search


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MMsINC code: MMs03245074

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

Oc1ccc(NC(=O)c2ccccc2C)cc1C

InChI:

InChI=1/C15H15NO2/c1-10-5-3-4-6-13(10)15(18)16-12-7-8-14(17)11(2)9-12/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)=78.3217 kcal/mol

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

Topological Properties
Globularity: 0.0359174	Sterimol/B1: 2.11523	Sterimol/B2: 2.33943	Sterimol/B3: 3.51644
Sterimol/B4: 6.51864	Sterimol/L: 14.5863

Surface and Volume Properties
Accessible surface: 468.845	Positive charged surface: 283.238	Negative charged surface: 185.607	Volume: 238.75
Hydrophobic surface: 401.301	Hydrophilic surface: 67.544

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.