MMsINC Database Search


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MMsINC code: MMs01946439

Type: Neutral
Formula: C₁₉H₁₅NO₂

SMILES:

O1c2c(OC1)cc-1c(CCn3cc(cc-13)-c1ccccc1)c2

InChI:

InChI=1/C19H15NO2/c1-2-4-13(5-3-1)15-8-17-16-10-19-18(21-12-22-19)9-14(16)6-7-20(17)11-15/h1-5,8-11H,6-7,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6784 kcal/mol

Physical Properties
Molecular Weight: 289.334 g/mol	logS: -4.68264	SlogP: 4.37327	Reactive groups: 0

Topological Properties
Globularity: 0.0147419	Sterimol/B1: 2.95057	Sterimol/B2: 2.95527	Sterimol/B3: 3.43092
Sterimol/B4: 6.24244	Sterimol/L: 16.4196

Surface and Volume Properties
Accessible surface: 522.524	Positive charged surface: 314.991	Negative charged surface: 207.533	Volume: 281.75
Hydrophobic surface: 444.429	Hydrophilic surface: 78.095

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.