MMsINC Database Search


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MMsINC code: MMs00121792

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

O(C)c1ccc(cc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C15H15NO2/c1-18-14-9-7-13(8-10-14)15(17)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.6921 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -3.34929	SlogP: 2.8916	Reactive groups: 0

Topological Properties
Globularity: 0.0569273	Sterimol/B1: 1.969	Sterimol/B2: 3.61769	Sterimol/B3: 3.61793
Sterimol/B4: 6.64412	Sterimol/L: 15.319

Surface and Volume Properties
Accessible surface: 493.991	Positive charged surface: 308.968	Negative charged surface: 185.023	Volume: 244.75
Hydrophobic surface: 437.314	Hydrophilic surface: 56.677

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.