MMsINC Database Search


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MMsINC code: MMs01442887

Type: Neutral
Formula: C₂₀H₁₇NO₅

SMILES:

O(C)c1ccccc1NC(=O)COC(=O)c1ccc2c(cccc2)c1O

InChI:

InChI=1/C20H17NO5/c1-25-17-9-5-4-8-16(17)21-18(22)12-26-20(24)15-11-10-13-6-2-3-7-14(13)19(15)23/h2-11,23H,12H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.377 kcal/mol

Physical Properties
Molecular Weight: 351.358 g/mol	logS: -5.32935	SlogP: 3.3495	Reactive groups: 0

Topological Properties
Globularity: 0.0116388	Sterimol/B1: 2.34937	Sterimol/B2: 2.54486	Sterimol/B3: 3.60579
Sterimol/B4: 6.85778	Sterimol/L: 19.3792

Surface and Volume Properties
Accessible surface: 616.109	Positive charged surface: 387.839	Negative charged surface: 218.271	Volume: 326.375
Hydrophobic surface: 500.184	Hydrophilic surface: 115.925

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.