MMsINC Database Search


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MMsINC code: MMs01485024

Type: Neutral
Formula: C₁₇H₁₅ClFNO₄

SMILES:

Clc1cc(F)ccc1C(OC(C(=O)Nc1ccccc1OC)C)=O

InChI:

InChI=1/C17H15ClFNO4/c1-10(16(21)20-14-5-3-4-6-15(14)23-2)24-17(22)12-8-7-11(19)9-13(12)18/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3117 kcal/mol

Physical Properties
Molecular Weight: 351.761 g/mol	logS: -5.1699	SlogP: 3.6717	Reactive groups: 0

Topological Properties
Globularity: 0.0633854	Sterimol/B1: 2.13832	Sterimol/B2: 3.44068	Sterimol/B3: 5.8389
Sterimol/B4: 6.44388	Sterimol/L: 16.909

Surface and Volume Properties
Accessible surface: 585.191	Positive charged surface: 322.468	Negative charged surface: 262.724	Volume: 304.875
Hydrophobic surface: 502.818	Hydrophilic surface: 82.373

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.