MMsINC Database Search


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MMsINC code: MMs01179678

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

o1cccc1C(=O)N(Cc1ccccc1)Cc1ccncc1

InChI:

InChI=1/C18H16N2O2/c21-18(17-7-4-12-22-17)20(13-15-5-2-1-3-6-15)14-16-8-10-19-11-9-16/h1-12H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6749 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -3.45425	SlogP: 4.05	Reactive groups: 0

Topological Properties
Globularity: 0.125418	Sterimol/B1: 2.9466	Sterimol/B2: 4.44639	Sterimol/B3: 5.73699
Sterimol/B4: 6.32612	Sterimol/L: 13.7938

Surface and Volume Properties
Accessible surface: 514.338	Positive charged surface: 313.099	Negative charged surface: 201.239	Volume: 290.75
Hydrophobic surface: 458.179	Hydrophilic surface: 56.159

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.