MMsINC Database Search


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MMsINC code: MMs00932372

Type: Neutral
Formula: C₂₀H₂₄N₂O₄

SMILES:

O(CCNC(=O)c1ccccc1)CCOCCNC(=O)c1ccccc1

InChI:

InChI=1/C20H24N2O4/c23-19(17-7-3-1-4-8-17)21-11-13-25-15-16-26-14-12-22-20(24)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6298 kcal/mol

Physical Properties
Molecular Weight: 356.422 g/mol	logS: -3.75676	SlogP: 1.8796	Reactive groups: 0

Topological Properties
Globularity: 0.0910556	Sterimol/B1: 3.43338	Sterimol/B2: 3.67683	Sterimol/B3: 5.28263
Sterimol/B4: 6.14966	Sterimol/L: 20.5197

Surface and Volume Properties
Accessible surface: 707.385	Positive charged surface: 466.441	Negative charged surface: 240.943	Volume: 357.25
Hydrophobic surface: 620.564	Hydrophilic surface: 86.821

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.