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MMsINC code: MMs02240962

Type: Neutral
Formula: C₂₁H₁₈N₂O₂

SMILES:

O=C(C(=O)N)c1n2c(CCC2)c(c1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C21H18N2O2/c22-21(25)20(24)19-18(15-10-5-2-6-11-15)17(14-8-3-1-4-9-14)16-12-7-13-23(16)19/h1-6,8-11H,7,12-13H2,(H2,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6243 kcal/mol

Physical Properties
Molecular Weight: 330.387 g/mol	logS: -5.84982	SlogP: 3.70267	Reactive groups: 0

Topological Properties
Globularity: 0.175026	Sterimol/B1: 3.5229	Sterimol/B2: 3.75612	Sterimol/B3: 4.95065
Sterimol/B4: 7.96443	Sterimol/L: 13.7869

Surface and Volume Properties
Accessible surface: 578.543	Positive charged surface: 369.576	Negative charged surface: 208.966	Volume: 324.25
Hydrophobic surface: 449.088	Hydrophilic surface: 129.455

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.