MMsINC Database Search


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MMsINC code: MMs03241585

Type: Neutral
Formula: C₁₉H₁₆N₂O

SMILES:

O=C(Nc1nccc(c1)C)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C19H16N2O/c1-14-11-12-20-18(13-14)21-19(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9399 kcal/mol

Physical Properties
Molecular Weight: 288.35 g/mol	logS: -5.30829	SlogP: 4.30932	Reactive groups: 0

Topological Properties
Globularity: 0.00214137	Sterimol/B1: 2.32592	Sterimol/B2: 2.52714	Sterimol/B3: 2.55425
Sterimol/B4: 5.95994	Sterimol/L: 18.8182

Surface and Volume Properties
Accessible surface: 546.374	Positive charged surface: 304.326	Negative charged surface: 230.928	Volume: 291.375
Hydrophobic surface: 492.605	Hydrophilic surface: 53.769

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.