MMsINC Database Search


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MMsINC code: MMs01594774

Type: Neutral
Formula: C₂₀H₂₄N₂O₄

SMILES:

O(C)c1ccccc1CN(C(=O)COC(=O)c1cc(N(C)C)ccc1)C

InChI:

InChI=1/C20H24N2O4/c1-21(2)17-10-7-9-15(12-17)20(24)26-14-19(23)22(3)13-16-8-5-6-11-18(16)25-4/h5-12H,13-14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.49 kcal/mol

Physical Properties
Molecular Weight: 356.422 g/mol	logS: -3.57888	SlogP: 2.843	Reactive groups: 0

Topological Properties
Globularity: 0.0464881	Sterimol/B1: 3.46745	Sterimol/B2: 4.43662	Sterimol/B3: 4.75902
Sterimol/B4: 4.90497	Sterimol/L: 19.4065

Surface and Volume Properties
Accessible surface: 655.03	Positive charged surface: 483.046	Negative charged surface: 171.984	Volume: 354.5
Hydrophobic surface: 579.911	Hydrophilic surface: 75.119

Pharmacophoric Properties
Hydrogen bond donors: 0	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.