MMsINC Database Search


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MMsINC code: MMs02255759

Type: Neutral
Formula: C₁₉H₁₅NO

SMILES:

O=C(N)c1cc(c(cc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C19H15NO/c20-19(21)16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15/h1-13H,(H2,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.1348 kcal/mol

Physical Properties
Molecular Weight: 273.335 g/mol	logS: -6.48976	SlogP: 4.1195	Reactive groups: 0

Topological Properties
Globularity: 0.0810139	Sterimol/B1: 2.91726	Sterimol/B2: 2.93268	Sterimol/B3: 3.75806
Sterimol/B4: 8.22105	Sterimol/L: 13.6925

Surface and Volume Properties
Accessible surface: 497.587	Positive charged surface: 277.659	Negative charged surface: 212.87	Volume: 276.375
Hydrophobic surface: 392.951	Hydrophilic surface: 104.636

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.