MMsINC Database Search


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MMsINC code: MMs02083151

Type: Neutral
Formula: C₁₈H₂₀N₂O₄

SMILES:

O(CC)c1ccccc1NC(=O)C(=O)NCc1cc(OC)ccc1

InChI:

InChI=1/C18H20N2O4/c1-3-24-16-10-5-4-9-15(16)20-18(22)17(21)19-12-13-7-6-8-14(11-13)23-2/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1725 kcal/mol

Physical Properties
Molecular Weight: 328.368 g/mol	logS: -3.95541	SlogP: 2.6152	Reactive groups: 0

Topological Properties
Globularity: 0.0622575	Sterimol/B1: 1.969	Sterimol/B2: 4.29371	Sterimol/B3: 4.55927
Sterimol/B4: 8.6284	Sterimol/L: 18.09

Surface and Volume Properties
Accessible surface: 626.053	Positive charged surface: 425.069	Negative charged surface: 200.984	Volume: 317.125
Hydrophobic surface: 489.103	Hydrophilic surface: 136.95

Pharmacophoric Properties
Hydrogen bond donors: 2	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.