MMsINC Database Search


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MMsINC code: MMs00590331

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

Oc1ccc(cc1)C(=O)Nc1cccc(C)c1C

InChI:

InChI=1/C15H15NO2/c1-10-4-3-5-14(11(10)2)16-15(18)12-6-8-13(17)9-7-12/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)=78.1579 kcal/mol

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

Topological Properties
Globularity: 0.0180594	Sterimol/B1: 2.26265	Sterimol/B2: 2.80443	Sterimol/B3: 2.9067
Sterimol/B4: 5.76288	Sterimol/L: 15.2353

Surface and Volume Properties
Accessible surface: 471.53	Positive charged surface: 268.32	Negative charged surface: 203.21	Volume: 240.625
Hydrophobic surface: 389.526	Hydrophilic surface: 82.004

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.