MMsINC Database Search


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MMsINC code: MMs01488237

Type: Neutral
Formula: C₁₇H₁₅ClN₂O₄

SMILES:

Clc1ccc(NC(=O)COC(=O)c2cc(NC(=O)C)ccc2)cc1

InChI:

InChI=1/C17H15ClN2O4/c1-11(21)19-15-4-2-3-12(9-15)17(23)24-10-16(22)20-14-7-5-13(18)6-8-14/h2-9H,10H2,1H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.6538 kcal/mol

Physical Properties
Molecular Weight: 346.77 g/mol	logS: -4.70678	SlogP: 3.0939	Reactive groups: 0

Topological Properties
Globularity: 0.0101374	Sterimol/B1: 2.5056	Sterimol/B2: 2.66846	Sterimol/B3: 2.67987
Sterimol/B4: 6.48154	Sterimol/L: 20.8504

Surface and Volume Properties
Accessible surface: 615.695	Positive charged surface: 322.625	Negative charged surface: 293.07	Volume: 306.875
Hydrophobic surface: 476.518	Hydrophilic surface: 139.177

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.