MMsINC Database Search


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MMsINC code: MMs01133015

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O1CCN(CC1)C(=O)c1cc(n(c1C)-c1ccccc1OCC)-c1ccccc1

InChI:

InChI=1/C24H26N2O3/c1-3-29-23-12-8-7-11-21(23)26-18(2)20(24(27)25-13-15-28-16-14-25)17-22(26)19-9-5-4-6-10-19/h4-12,17H,3,13-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.953 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -4.96375	SlogP: 4.32382	Reactive groups: 0

Topological Properties
Globularity: 0.214209	Sterimol/B1: 2.00176	Sterimol/B2: 2.5114	Sterimol/B3: 8.66161
Sterimol/B4: 8.91103	Sterimol/L: 15.3764

Surface and Volume Properties
Accessible surface: 665.59	Positive charged surface: 458.505	Negative charged surface: 207.084	Volume: 388.875
Hydrophobic surface: 599.264	Hydrophilic surface: 66.326

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.