MMsINC Database Search


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MMsINC code: MMs01089225

Type: Neutral
Formula: C₁₉H₁₉NO₂

SMILES:

O(C)c1cc2c(n(Cc3ccccc3)c(C)c2C(=O)C)cc1

InChI:

InChI=1/C19H19NO2/c1-13-19(14(2)21)17-11-16(22-3)9-10-18(17)20(13)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.8523 kcal/mol

Physical Properties
Molecular Weight: 293.366 g/mol	logS: -4.01273	SlogP: 4.47562	Reactive groups: 0

Topological Properties
Globularity: 0.155121	Sterimol/B1: 2.71698	Sterimol/B2: 3.84384	Sterimol/B3: 4.85428
Sterimol/B4: 7.79385	Sterimol/L: 14.38

Surface and Volume Properties
Accessible surface: 540.758	Positive charged surface: 324.159	Negative charged surface: 211.604	Volume: 299
Hydrophobic surface: 481.48	Hydrophilic surface: 59.278

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.