MMsINC Database Search


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MMsINC code: MMs02146589

Type: Neutral
Formula: C₁₄H₁₀ClFN₂O₃S

SMILES:

Clc1cc(S(=O)(=O)Nc2cc3oc(nc3cc2)C)ccc1F

InChI:

InChI=1/C14H10ClFN2O3S/c1-8-17-13-5-2-9(6-14(13)21-8)18-22(19,20)10-3-4-12(16)11(15)7-10/h2-7,18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.3809 kcal/mol

Physical Properties
Molecular Weight: 340.762 g/mol	logS: -4.69829	SlogP: 3.72952	Reactive groups: 0

Topological Properties
Globularity: 0.152811	Sterimol/B1: 3.25261	Sterimol/B2: 3.96626	Sterimol/B3: 4.95942
Sterimol/B4: 5.68817	Sterimol/L: 13.6371

Surface and Volume Properties
Accessible surface: 517.286	Positive charged surface: 228.928	Negative charged surface: 288.358	Volume: 266.5
Hydrophobic surface: 388.083	Hydrophilic surface: 129.203

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.