MMsINC Database Search


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MMsINC code: MMs02645484

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

o1c(ccc1C(=O)Nc1ncccc1)Cc1ccc(cc1)C

InChI:

InChI=1/C18H16N2O2/c1-13-5-7-14(8-6-13)12-15-9-10-16(22-15)18(21)20-17-4-2-3-11-19-17/h2-11H,12H2,1H3,(H,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6072 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -4.58933	SlogP: 3.82609	Reactive groups: 0

Topological Properties
Globularity: 0.0657949	Sterimol/B1: 2.40698	Sterimol/B2: 2.45097	Sterimol/B3: 5.15821
Sterimol/B4: 7.30294	Sterimol/L: 17.0579

Surface and Volume Properties
Accessible surface: 574.144	Positive charged surface: 354.323	Negative charged surface: 219.821	Volume: 288.125
Hydrophobic surface: 506.902	Hydrophilic surface: 67.242

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.