MMsINC Database Search


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MMsINC code: MMs01361194

Type: Neutral
Formula: C₂₂H₃₄N₂O₂

SMILES:

O(C)c1cc(ccc1)CNCC(=O)N(C1CCCCC1)C1CCCCC1

InChI:

InChI=1/C22H34N2O2/c1-26-21-14-8-9-18(15-21)16-23-17-22(25)24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h8-9,14-15,19-20,23H,2-7,10-13,16-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.597 kcal/mol

Physical Properties
Molecular Weight: 358.526 g/mol	logS: -4.18462	SlogP: 4.5452	Reactive groups: 0

Topological Properties
Globularity: 0.102742	Sterimol/B1: 2.75693	Sterimol/B2: 4.4666	Sterimol/B3: 5.33011
Sterimol/B4: 8.48032	Sterimol/L: 16.5598

Surface and Volume Properties
Accessible surface: 660.493	Positive charged surface: 503.045	Negative charged surface: 157.448	Volume: 378.125
Hydrophobic surface: 614.479	Hydrophilic surface: 46.014

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.