MMsINC Database Search


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MMsINC code: MMs00855210

Type: Neutral
Formula: C₁₉H₁₉NO₂

SMILES:

O(C)c1cc2c(n(c(C)c2C(=O)C)-c2cc(ccc2)C)cc1

InChI:

InChI=1/C19H19NO2/c1-12-6-5-7-15(10-12)20-13(2)19(14(3)21)17-11-16(22-4)8-9-18(17)20/h5-11H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.873 kcal/mol

Physical Properties
Molecular Weight: 293.366 g/mol	logS: -4.54261	SlogP: 4.45854	Reactive groups: 0

Topological Properties
Globularity: 0.0882488	Sterimol/B1: 2.23603	Sterimol/B2: 4.44302	Sterimol/B3: 5.51218
Sterimol/B4: 6.44247	Sterimol/L: 14.8844

Surface and Volume Properties
Accessible surface: 543.432	Positive charged surface: 337.977	Negative charged surface: 199.748	Volume: 298.5
Hydrophobic surface: 494.147	Hydrophilic surface: 49.285

Pharmacophoric Properties
Hydrogen bond donors: 0	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.