MMsINC Database Search


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MMsINC code: MMs02668550

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

Oc1cc(C)c(NC(=O)c2ccccc2C)cc1

InChI:

InChI=1/C15H15NO2/c1-10-5-3-4-6-13(10)15(18)16-14-8-7-12(17)9-11(14)2/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)=81.0027 kcal/mol

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

Topological Properties
Globularity: 0.0223494	Sterimol/B1: 2.0824	Sterimol/B2: 2.53081	Sterimol/B3: 3.01439
Sterimol/B4: 6.77932	Sterimol/L: 14.5937

Surface and Volume Properties
Accessible surface: 466.905	Positive charged surface: 273.711	Negative charged surface: 193.194	Volume: 239.625
Hydrophobic surface: 391.939	Hydrophilic surface: 74.966

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.