MMsINC Database Search


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MMsINC code: MMs01544229

Type: Neutral
Formula: C₂₀H₂₀N₂O₆

SMILES:

O1c2cc(C(=O)C)c(NC(=O)COC(=O)c3ccc(N(C)C)cc3)cc2OC1

InChI:

InChI=1/C20H20N2O6/c1-12(23)15-8-17-18(28-11-27-17)9-16(15)21-19(24)10-26-20(25)13-4-6-14(7-5-13)22(2)3/h4-9H,10-11H2,1-3H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.523 kcal/mol

Physical Properties
Molecular Weight: 384.388 g/mol	logS: -3.95782	SlogP: 2.4794	Reactive groups: 0

Topological Properties
Globularity: 0.0221139	Sterimol/B1: 2.17558	Sterimol/B2: 2.33677	Sterimol/B3: 4.47772
Sterimol/B4: 8.71767	Sterimol/L: 19.1561

Surface and Volume Properties
Accessible surface: 656.915	Positive charged surface: 453.713	Negative charged surface: 203.202	Volume: 350.375
Hydrophobic surface: 493.594	Hydrophilic surface: 163.321

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.