MMsINC Database Search


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MMsINC code: MMs01566339

Type: Neutral
Formula: C₁₇H₁₄Cl₂FNO₄

SMILES:

Clc1cc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)ccc1F

InChI:

InChI=1/C17H14Cl2FNO4/c1-10-6-11(18)2-5-15(10)24-9-17(23)25-8-16(22)21-12-3-4-14(20)13(19)7-12/h2-7H,8-9H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.735 kcal/mol

Physical Properties
Molecular Weight: 386.206 g/mol	logS: -5.76389	SlogP: 4.00162	Reactive groups: 1

Topological Properties
Globularity: 0.0108904	Sterimol/B1: 1.969	Sterimol/B2: 2.54435	Sterimol/B3: 3.58574
Sterimol/B4: 6.81165	Sterimol/L: 21.2224

Surface and Volume Properties
Accessible surface: 632.9	Positive charged surface: 297.665	Negative charged surface: 335.236	Volume: 322.5
Hydrophobic surface: 541.585	Hydrophilic surface: 91.315

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.