MMsINC Database Search


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MMsINC code: MMs02137763

Type: Neutral
Formula: C₁₇H₁₉NO₂

SMILES:

Oc1ccc(cc1\C(=N\O)\c1ccccc1)C(C)(C)C

InChI:

InChI=1/C17H19NO2/c1-17(2,3)13-9-10-15(19)14(11-13)16(18-20)12-7-5-4-6-8-12/h4-11,19-20H,1-3H3/b18-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.266 kcal/mol

Physical Properties
Molecular Weight: 269.344 g/mol	logS: -4.93054	SlogP: 3.9163	Reactive groups: 0

Topological Properties
Globularity: 0.175104	Sterimol/B1: 3.16898	Sterimol/B2: 3.99492	Sterimol/B3: 4.66385
Sterimol/B4: 6.10051	Sterimol/L: 14.2114

Surface and Volume Properties
Accessible surface: 516.488	Positive charged surface: 319.99	Negative charged surface: 196.498	Volume: 277.75
Hydrophobic surface: 364.896	Hydrophilic surface: 151.592

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.