MMsINC Database Search


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MMsINC code: MMs01288766

Type: Neutral
Formula: C₁₉H₁₅NO₂

SMILES:

O=C(C)c1cc(NC(=O)c2cc3c(cc2)cccc3)ccc1

InChI:

InChI=1/C19H15NO2/c1-13(21)15-7-4-8-18(12-15)20-19(22)17-10-9-14-5-2-3-6-16(14)11-17/h2-12H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5193 kcal/mol

Physical Properties
Molecular Weight: 289.334 g/mol	logS: -5.54502	SlogP: 4.2947	Reactive groups: 0

Topological Properties
Globularity: 0.0153772	Sterimol/B1: 2.44105	Sterimol/B2: 2.53225	Sterimol/B3: 3.10176
Sterimol/B4: 6.28088	Sterimol/L: 17.2188

Surface and Volume Properties
Accessible surface: 537.654	Positive charged surface: 279.26	Negative charged surface: 249.176	Volume: 285.75
Hydrophobic surface: 461.146	Hydrophilic surface: 76.508

Pharmacophoric Properties
Hydrogen bond donors: 1	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.