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MMsINC code: MMs03154497

Type: Neutral
Formula: C₂₂H₂₈N₂O₂

SMILES:

O(C)c1cc(ccc1)CN1CCC(CC1)C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C22H28N2O2/c1-23(16-18-7-4-3-5-8-18)22(25)20-11-13-24(14-12-20)17-19-9-6-10-21(15-19)26-2/h3-10,15,20H,11-14,16-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.1467 kcal/mol

Physical Properties
Molecular Weight: 352.478 g/mol	logS: -3.45005	SlogP: 4.0986	Reactive groups: 0

Topological Properties
Globularity: 0.111773	Sterimol/B1: 2.78129	Sterimol/B2: 3.80397	Sterimol/B3: 5.50888
Sterimol/B4: 7.39832	Sterimol/L: 16.2517

Surface and Volume Properties
Accessible surface: 641.307	Positive charged surface: 473.539	Negative charged surface: 167.768	Volume: 369.75
Hydrophobic surface: 597.629	Hydrophilic surface: 43.678

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs03154498
PUBCHEM-ZINC04679655