MMsINC Database Search


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MMsINC code: MMs00792785

Type: Neutral
Formula: C₁₆H₁₃Cl₂FO₃

SMILES:

Clc1cc(cc(Cl)c1OCCC)C(Oc1ccccc1F)=O

InChI:

InChI=1/C16H13Cl2FO3/c1-2-7-21-15-11(17)8-10(9-12(15)18)16(20)22-14-6-4-3-5-13(14)19/h3-6,8-9H,2,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.9897 kcal/mol

Physical Properties
Molecular Weight: 343.181 g/mol	logS: -5.84186	SlogP: 5.1405	Reactive groups: 0

Topological Properties
Globularity: 0.0446118	Sterimol/B1: 2.77137	Sterimol/B2: 3.12664	Sterimol/B3: 5.06927
Sterimol/B4: 5.49336	Sterimol/L: 18.5083

Surface and Volume Properties
Accessible surface: 570.989	Positive charged surface: 265.627	Negative charged surface: 305.362	Volume: 291.5
Hydrophobic surface: 512.314	Hydrophilic surface: 58.675

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.