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MMsINC code: MMs00801966

Type: Ionized
Formula: C₁₅H₉ClFN₂O₃S-

SMILES:

Clc1cc(NC(=S)NC(=O)c2ccccc2F)ccc1C(=O)[O-]

InChI:

InChI=1/C15H10ClFN2O3S/c16-11-7-8(5-6-9(11)14(21)22)18-15(23)19-13(20)10-3-1-2-4-12(10)17/h1-7H,(H,21,22)(H2,18,19,20,23)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0748 kcal/mol

Physical Properties
Molecular Weight: 351.765 g/mol	logS: -6.07748	SlogP: 1.9694	Reactive groups: 0

Topological Properties
Globularity: 0.056786	Sterimol/B1: 2.19565	Sterimol/B2: 2.57095	Sterimol/B3: 4.68067
Sterimol/B4: 6.44847	Sterimol/L: 17.2641

Surface and Volume Properties
Accessible surface: 560.665	Positive charged surface: 206.455	Negative charged surface: 354.21	Volume: 287
Hydrophobic surface: 361.529	Hydrophilic surface: 199.136

Pharmacophoric Properties
Hydrogen bond donors: 2	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:

MMs00801965
CHEMBRIDGE-ZINC04845536