MMsINC Database Search


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MMsINC code: MMs02378395

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

OC1(c2c(N(C)C1=O)cccc2)Cc1nccc2c1cccc2

InChI:

InChI=1/C19H16N2O2/c1-21-17-9-5-4-8-15(17)19(23,18(21)22)12-16-14-7-3-2-6-13(14)10-11-20-16/h2-11,23H,12H2,1H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.6093 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -4.00287	SlogP: 2.95297	Reactive groups: 0

Topological Properties
Globularity: 0.0897125	Sterimol/B1: 2.07967	Sterimol/B2: 2.29544	Sterimol/B3: 4.37741
Sterimol/B4: 7.55181	Sterimol/L: 14.2738

Surface and Volume Properties
Accessible surface: 503.469	Positive charged surface: 314.198	Negative charged surface: 183.246	Volume: 291.375
Hydrophobic surface: 449.396	Hydrophilic surface: 54.073

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.