MMsINC Database Search


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MMsINC code: MMs00144741

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₄

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C19H15ClN2O4/c1-11-16(17(22-26-11)12-7-3-5-9-14(12)20)18(23)21-15-10-6-4-8-13(15)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)=103.191 kcal/mol

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

Topological Properties
Globularity: 0.303909	Sterimol/B1: 2.21481	Sterimol/B2: 3.31299	Sterimol/B3: 6.17537
Sterimol/B4: 9.67133	Sterimol/L: 12.7169

Surface and Volume Properties
Accessible surface: 585.103	Positive charged surface: 315.417	Negative charged surface: 269.686	Volume: 329.375
Hydrophobic surface: 522.804	Hydrophilic surface: 62.299

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.