MMsINC Database Search


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MMsINC code: MMs02941494

Type: Neutral
Formula: C₁₆H₁₃ClF₂N₂O₄

SMILES:

Clc1cc(NC(=O)Nc2ccccc2C(OC)=O)ccc1OC(F)F

InChI:

InChI=1/C16H13ClF2N2O4/c1-24-14(22)10-4-2-3-5-12(10)21-16(23)20-9-6-7-13(11(17)8-9)25-15(18)19/h2-8,15H,1H3,(H2,20,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.4204 kcal/mol

Physical Properties
Molecular Weight: 370.739 g/mol	logS: -4.50232	SlogP: 4.7919	Reactive groups: 0

Topological Properties
Globularity: 0.0398237	Sterimol/B1: 2.00424	Sterimol/B2: 3.78643	Sterimol/B3: 4.08147
Sterimol/B4: 8.52573	Sterimol/L: 17.464

Surface and Volume Properties
Accessible surface: 583.974	Positive charged surface: 320.308	Negative charged surface: 263.666	Volume: 300.5
Hydrophobic surface: 422.705	Hydrophilic surface: 161.269

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.