MMsINC Database Search


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MMsINC code: MMs02576607

Type: Neutral
Formula: C₁₉H₂₀N₂O₅

SMILES:

O(C)c1ccccc1NC(=O)C(OC(=O)CNC(=O)c1ccccc1)C

InChI:

InChI=1/C19H20N2O5/c1-13(18(23)21-15-10-6-7-11-16(15)25-2)26-17(22)12-20-19(24)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,20,24)(H,21,23)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.052 kcal/mol

Physical Properties
Molecular Weight: 356.378 g/mol	logS: -4.3132	SlogP: 1.9954	Reactive groups: 1

Topological Properties
Globularity: 0.0244535	Sterimol/B1: 2.45322	Sterimol/B2: 3.0515	Sterimol/B3: 4.64386
Sterimol/B4: 6.75007	Sterimol/L: 20.3773

Surface and Volume Properties
Accessible surface: 652.984	Positive charged surface: 408.91	Negative charged surface: 244.075	Volume: 337.25
Hydrophobic surface: 508.843	Hydrophilic surface: 144.141

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.