MMsINC Database Search


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MMsINC code: MMs01442847

Type: Neutral
Formula: C₂₀H₁₇NO₅

SMILES:

O(C)c1ccc(NC(=O)COC(=O)c2ccc3c(cccc3)c2O)cc1

InChI:

InChI=1/C20H17NO5/c1-25-15-9-7-14(8-10-15)21-18(22)12-26-20(24)17-11-6-13-4-2-3-5-16(13)19(17)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)=114.763 kcal/mol

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

Topological Properties
Globularity: 0.00943233	Sterimol/B1: 2.54698	Sterimol/B2: 3.28949	Sterimol/B3: 3.53158
Sterimol/B4: 5.26147	Sterimol/L: 21.4275

Surface and Volume Properties
Accessible surface: 614.568	Positive charged surface: 383.584	Negative charged surface: 220.165	Volume: 326.125
Hydrophobic surface: 489.272	Hydrophilic surface: 125.296

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.