MMsINC Database Search


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MMsINC code: MMs00607315

Type: Neutral
Formula: C₁₆H₁₃ClFNO₄

SMILES:

Clc1cc(C(OCC(=O)Nc2ccc(F)cc2)=O)c(OC)cc1

InChI:

InChI=1/C16H13ClFNO4/c1-22-14-7-2-10(17)8-13(14)16(21)23-9-15(20)19-12-5-3-11(18)4-6-12/h2-8H,9H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0522 kcal/mol

Physical Properties
Molecular Weight: 337.734 g/mol	logS: -4.84269	SlogP: 3.2832	Reactive groups: 0

Topological Properties
Globularity: 0.0121502	Sterimol/B1: 2.56977	Sterimol/B2: 2.60647	Sterimol/B3: 2.81342
Sterimol/B4: 8.2256	Sterimol/L: 17.2288

Surface and Volume Properties
Accessible surface: 582.26	Positive charged surface: 319.007	Negative charged surface: 263.253	Volume: 287
Hydrophobic surface: 498.187	Hydrophilic surface: 84.073

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.