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MMsINC code: MMs03070626

Type: Ionized
Formula: C₁₆H₉Cl₂FNO₂-

SMILES:

Clc1c2c([nH]c(-c3ccccc3F)c2CC(=O)[O-])cc(Cl)c1

InChI:

InChI=1/C16H10Cl2FNO2/c17-8-5-11(18)15-10(7-14(21)22)16(20-13(15)6-8)9-3-1-2-4-12(9)19/h1-6,20H,7H2,(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6435 kcal/mol

Physical Properties
Molecular Weight: 337.157 g/mol	logS: -6.12484	SlogP: 3.57317	Reactive groups: 0

Topological Properties
Globularity: 0.058182	Sterimol/B1: 2.61464	Sterimol/B2: 3.81976	Sterimol/B3: 4.91364
Sterimol/B4: 5.72255	Sterimol/L: 14.7759

Surface and Volume Properties
Accessible surface: 509.819	Positive charged surface: 180.025	Negative charged surface: 326.231	Volume: 276.375
Hydrophobic surface: 417.694	Hydrophilic surface: 92.125

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs03070625
PUBCHEM-ZINC03755020