MMsINC Database Search


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MMsINC code: MMs01181041

Type: Neutral
Formula: C₂₂H₂₆N₂O₂

SMILES:

O1CCc2cc(ccc12)C(=O)N(CC1CCCCC1)Cc1ncccc1

InChI:

InChI=1/C22H26N2O2/c25-22(19-9-10-21-18(14-19)11-13-26-21)24(15-17-6-2-1-3-7-17)16-20-8-4-5-12-23-20/h4-5,8-10,12,14,17H,1-3,6-7,11,13,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.75 kcal/mol

Physical Properties
Molecular Weight: 350.462 g/mol	logS: -4.49632	SlogP: 4.50557	Reactive groups: 0

Topological Properties
Globularity: 0.130332	Sterimol/B1: 2.40922	Sterimol/B2: 3.54022	Sterimol/B3: 4.04728
Sterimol/B4: 11.011	Sterimol/L: 14.234

Surface and Volume Properties
Accessible surface: 618.643	Positive charged surface: 445.889	Negative charged surface: 172.754	Volume: 352.75
Hydrophobic surface: 571.864	Hydrophilic surface: 46.779

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: no related molecules available.