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MMsINC code: MMs00539196

Type: Neutral
Formula: C₂₁H₂₀N₂O₂

SMILES:

O=C(C(=O)N1CCCCC1)c1c2c([nH]c1-c1ccccc1)cccc2

InChI:

InChI=1/C21H20N2O2/c24-20(21(25)23-13-7-2-8-14-23)18-16-11-5-6-12-17(16)22-19(18)15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.9377 kcal/mol

Physical Properties
Molecular Weight: 332.403 g/mol	logS: -5.1956	SlogP: 4.0301	Reactive groups: 0

Topological Properties
Globularity: 0.106104	Sterimol/B1: 2.39436	Sterimol/B2: 3.73063	Sterimol/B3: 3.83466
Sterimol/B4: 10.3438	Sterimol/L: 13.8606

Surface and Volume Properties
Accessible surface: 568.316	Positive charged surface: 344.297	Negative charged surface: 219.566	Volume: 327
Hydrophobic surface: 498.985	Hydrophilic surface: 69.331

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.