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MMsINC code: MMs01528119

Type: Ionized
Formula: C₂₀H₁₄ClFNO₄S-

SMILES:

Clc1ccc(cc1S(=O)(=O)N(Cc1ccccc1)c1ccc(F)cc1)C(=O)[O-]

InChI:

InChI=1/C20H15ClFNO4S/c21-18-11-6-15(20(24)25)12-19(18)28(26,27)23(13-14-4-2-1-3-5-14)17-9-7-16(22)8-10-17/h1-12H,13H2,(H,24,25)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9195 kcal/mol

Physical Properties
Molecular Weight: 418.852 g/mol	logS: -6.14932	SlogP: 3.5045	Reactive groups: 0

Topological Properties
Globularity: 0.236129	Sterimol/B1: 3.62002	Sterimol/B2: 4.16368	Sterimol/B3: 5.62815
Sterimol/B4: 7.63814	Sterimol/L: 13.9649

Surface and Volume Properties
Accessible surface: 589.881	Positive charged surface: 250.926	Negative charged surface: 338.955	Volume: 354.25
Hydrophobic surface: 449.256	Hydrophilic surface: 140.625

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

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Parent related molecule:

MMs01528118
ENAMINE-ZINC03886802