MMsINC Database Search


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MMsINC code: MMs00144234

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₄

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C19H15ClN2O4/c1-11-16(17(22-26-11)14-5-3-4-6-15(14)20)18(23)21-13-9-7-12(8-10-13)19(24)25-2/h3-10H,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.26 kcal/mol

Physical Properties
Molecular Weight: 370.792 g/mol	logS: -5.82581	SlogP: 4.34232	Reactive groups: 0

Topological Properties
Globularity: 0.0764148	Sterimol/B1: 2.23804	Sterimol/B2: 3.67403	Sterimol/B3: 3.88655
Sterimol/B4: 10.3131	Sterimol/L: 16.5258

Surface and Volume Properties
Accessible surface: 613.325	Positive charged surface: 324.605	Negative charged surface: 288.719	Volume: 331.375
Hydrophobic surface: 524.656	Hydrophilic surface: 88.669

Pharmacophoric Properties
Hydrogen bond donors: 1	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.