MMsINC Database Search


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MMsINC code: MMs00653403

Type: Neutral
Formula: C₂₀H₂₄N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)N1CCN(CC1)c1cc(OC)ccc1

InChI:

InChI=1/C20H24N2O4/c1-24-17-6-4-5-16(14-17)21-9-11-22(12-10-21)20(23)15-7-8-18(25-2)19(13-15)26-3/h4-8,13-14H,9-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=189.472 kcal/mol

Physical Properties
Molecular Weight: 356.422 g/mol	logS: -3.44675	SlogP: 2.6748	Reactive groups: 0

Topological Properties
Globularity: 0.099886	Sterimol/B1: 2.53749	Sterimol/B2: 3.66834	Sterimol/B3: 5.29106
Sterimol/B4: 7.68846	Sterimol/L: 17.987

Surface and Volume Properties
Accessible surface: 620.994	Positive charged surface: 476.814	Negative charged surface: 144.18	Volume: 345.375
Hydrophobic surface: 550.473	Hydrophilic surface: 70.521

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.