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MMsINC code: MMs02574964

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₅

SMILES:

Clc1cc(NC(=O)COC(=O)CCN2C(=O)c3c(cccc3)C2=O)ccc1

InChI:

InChI=1/C19H15ClN2O5/c20-12-4-3-5-13(10-12)21-16(23)11-27-17(24)8-9-22-18(25)14-6-1-2-7-15(14)19(22)26/h1-7,10H,8-9,11H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2848 kcal/mol

Physical Properties
Molecular Weight: 386.791 g/mol	logS: -4.95554	SlogP: 2.508	Reactive groups: 1

Topological Properties
Globularity: 0.0347151	Sterimol/B1: 3.11468	Sterimol/B2: 3.46375	Sterimol/B3: 5.08417
Sterimol/B4: 5.38504	Sterimol/L: 21.7039

Surface and Volume Properties
Accessible surface: 652.83	Positive charged surface: 333.657	Negative charged surface: 319.173	Volume: 335.5
Hydrophobic surface: 490.444	Hydrophilic surface: 162.386

Pharmacophoric Properties
Hydrogen bond donors: 1	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.