MMsINC Database Search


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MMsINC code: MMs01618547

Type: Neutral
Formula: C₂₅H₂₆N₂O₄

SMILES:

O(CC(=O)N(CC(=O)Nc1ccc(OC)cc1)C)c1ccccc1Cc1ccccc1

InChI:

InChI=1/C25H26N2O4/c1-27(17-24(28)26-21-12-14-22(30-2)15-13-21)25(29)18-31-23-11-7-6-10-20(23)16-19-8-4-3-5-9-19/h3-15H,16-18H2,1-2H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.474 kcal/mol

Physical Properties
Molecular Weight: 418.493 g/mol	logS: -5.35158	SlogP: 3.76187	Reactive groups: 0

Topological Properties
Globularity: 0.0548646	Sterimol/B1: 2.42993	Sterimol/B2: 3.64012	Sterimol/B3: 4.3824
Sterimol/B4: 10.3169	Sterimol/L: 19.695

Surface and Volume Properties
Accessible surface: 730.018	Positive charged surface: 486.619	Negative charged surface: 243.399	Volume: 413
Hydrophobic surface: 656.036	Hydrophilic surface: 73.982

Pharmacophoric Properties
Hydrogen bond donors: 1	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.