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MMsINC code: MMs00587374

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

Oc1cc(C)c(NC(=O)Cc2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8976 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -3.21486	SlogP: 2.88179	Reactive groups: 0

Topological Properties
Globularity: 0.0706194	Sterimol/B1: 1.969	Sterimol/B2: 3.67046	Sterimol/B3: 3.81547
Sterimol/B4: 6.81081	Sterimol/L: 14.5623

Surface and Volume Properties
Accessible surface: 483.828	Positive charged surface: 297.02	Negative charged surface: 186.808	Volume: 242.25
Hydrophobic surface: 403.814	Hydrophilic surface: 80.014

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.