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MMsINC code: MMs02134841

Type: Neutral
Formula: C₂₂H₂₄N₂O₂

SMILES:

O(C)c1cc2cc([nH]c2cc1)C(=O)N1CCC(CC1)Cc1ccccc1

InChI:

InChI=1/C22H24N2O2/c1-26-19-7-8-20-18(14-19)15-21(23-20)22(25)24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14-15,17,23H,9-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.8041 kcal/mol

Physical Properties
Molecular Weight: 348.446 g/mol	logS: -4.68975	SlogP: 4.27137	Reactive groups: 0

Topological Properties
Globularity: 0.0460215	Sterimol/B1: 3.14956	Sterimol/B2: 3.44252	Sterimol/B3: 3.97494
Sterimol/B4: 7.57229	Sterimol/L: 18.266

Surface and Volume Properties
Accessible surface: 631.817	Positive charged surface: 415.38	Negative charged surface: 210.686	Volume: 348
Hydrophobic surface: 573.457	Hydrophilic surface: 58.36

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.