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MMsINC code: MMs01018471

Type: Neutral
Formula: C₂₀H₂₂N₂O₂

SMILES:

O=C1N(CCC1)c1cc(ccc1C)C(=O)NCCc1ccccc1

InChI:

InChI=1/C20H22N2O2/c1-15-9-10-17(14-18(15)22-13-5-8-19(22)23)20(24)21-12-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.953 kcal/mol

Physical Properties
Molecular Weight: 322.408 g/mol	logS: -3.84948	SlogP: 3.09429	Reactive groups: 0

Topological Properties
Globularity: 0.0430745	Sterimol/B1: 2.63323	Sterimol/B2: 3.58992	Sterimol/B3: 4.11222
Sterimol/B4: 6.90091	Sterimol/L: 18.9448

Surface and Volume Properties
Accessible surface: 614.29	Positive charged surface: 376.875	Negative charged surface: 237.415	Volume: 329
Hydrophobic surface: 536.716	Hydrophilic surface: 77.574

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.