MMsINC Database Search


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MMsINC code: MMs01404759

Type: Neutral
Formula: C₁₉H₂₆N₂O₄

SMILES:

O1CCN(CC1)c1ccc(NC(=O)COC(=O)C2CCCCC2)cc1

InChI:

InChI=1/C19H26N2O4/c22-18(14-25-19(23)15-4-2-1-3-5-15)20-16-6-8-17(9-7-16)21-10-12-24-13-11-21/h6-9,15H,1-5,10-14H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.208 kcal/mol

Physical Properties
Molecular Weight: 346.427 g/mol	logS: -4.06855	SlogP: 2.5852	Reactive groups: 0

Topological Properties
Globularity: 0.032276	Sterimol/B1: 2.70768	Sterimol/B2: 3.93303	Sterimol/B3: 4.17161
Sterimol/B4: 4.4565	Sterimol/L: 20.3622

Surface and Volume Properties
Accessible surface: 642.546	Positive charged surface: 489.177	Negative charged surface: 153.369	Volume: 337.875
Hydrophobic surface: 537.311	Hydrophilic surface: 105.235

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: 1

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Ions/Tautomers related molecules: no related molecules available.