MMsINC Database Search


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MMsINC code: MMs00806116

Type: Neutral
Formula: C₁₇H₁₅ClN₂O₄

SMILES:

Clc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C17H15ClN2O4/c1-24-17(23)12-7-3-5-9-14(12)20-16(22)15(21)19-10-11-6-2-4-8-13(11)18/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)=84.7641 kcal/mol

Physical Properties
Molecular Weight: 346.77 g/mol	logS: -4.64346	SlogP: 2.6479	Reactive groups: 0

Topological Properties
Globularity: 0.0368642	Sterimol/B1: 1.99328	Sterimol/B2: 3.34222	Sterimol/B3: 4.32948
Sterimol/B4: 8.66062	Sterimol/L: 17.2805

Surface and Volume Properties
Accessible surface: 597.379	Positive charged surface: 340.931	Negative charged surface: 256.448	Volume: 309.625
Hydrophobic surface: 481.733	Hydrophilic surface: 115.646

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.