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MMsINC code: MMs03879070

Type: Neutral
Formula: C₂₂H₂₄N₂O₂

SMILES:

o1c2c(cc(cc2)C)c(C)c1C(=O)N1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C22H24N2O2/c1-16-8-9-20-19(14-16)17(2)21(26-20)22(25)24-12-10-23(11-13-24)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.936 kcal/mol

Physical Properties
Molecular Weight: 348.446 g/mol	logS: -5.47229	SlogP: 4.27404	Reactive groups: 0

Topological Properties
Globularity: 0.0376563	Sterimol/B1: 3.17416	Sterimol/B2: 3.21585	Sterimol/B3: 3.47488
Sterimol/B4: 7.51079	Sterimol/L: 17.5982

Surface and Volume Properties
Accessible surface: 632.631	Positive charged surface: 426.459	Negative charged surface: 200.265	Volume: 354.25
Hydrophobic surface: 597.899	Hydrophilic surface: 34.732

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs03879071
PUBCHEM-ZINC06860132