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MMsINC code: MMs02717506

Type: Neutral
Formula: C₁₅H₁₄ClFN₂O₃S

SMILES:

Clc1ccc(cc1S(=O)(=O)N)C(=O)NC(C)c1ccc(F)cc1

InChI:

InChI=1/C15H14ClFN2O3S/c1-9(10-2-5-12(17)6-3-10)19-15(20)11-4-7-13(16)14(8-11)23(18,21)22/h2-9H,1H3,(H,19,20)(H2,18,21,22)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.6167 kcal/mol

Physical Properties
Molecular Weight: 356.805 g/mol	logS: -4.882	SlogP: 2.713	Reactive groups: 0

Topological Properties
Globularity: 0.0688754	Sterimol/B1: 2.13264	Sterimol/B2: 2.27214	Sterimol/B3: 5.10327
Sterimol/B4: 6.39983	Sterimol/L: 16.383

Surface and Volume Properties
Accessible surface: 556.938	Positive charged surface: 250.156	Negative charged surface: 306.782	Volume: 293.875
Hydrophobic surface: 380.939	Hydrophilic surface: 175.999

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02717507
PUBCHEM-ZINC00638535