MMsINC Database Search


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MMsINC code: MMs03359896

Type: Neutral
Formula: C₁₅H₁₄ClFN₂O₄S

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)NC1CCS(=O)(=O)C1

InChI:

InChI=1/C15H14ClFN2O4S/c1-8-12(15(20)18-9-5-6-24(21,22)7-9)14(19-23-8)13-10(16)3-2-4-11(13)17/h2-4,9H,5-7H2,1H3,(H,18,20)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4397 kcal/mol

Physical Properties
Molecular Weight: 372.804 g/mol	logS: -4.37698	SlogP: 2.35942	Reactive groups: 0

Topological Properties
Globularity: 0.153682	Sterimol/B1: 2.29643	Sterimol/B2: 3.44237	Sterimol/B3: 4.74553
Sterimol/B4: 10.1664	Sterimol/L: 12.3419

Surface and Volume Properties
Accessible surface: 546.226	Positive charged surface: 248.54	Negative charged surface: 297.687	Volume: 300.125
Hydrophobic surface: 419.652	Hydrophilic surface: 126.574

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.