MMsINC Database Search


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MMsINC code: MMs02648973

Type: Neutral
Formula: C₁₄H₁₂ClFN₂O₃S

SMILES:

Clc1cc(NC(=O)NS(=O)(=O)c2ccc(cc2)C)ccc1F

InChI:

InChI=1/C14H12ClFN2O3S/c1-9-2-5-11(6-3-9)22(20,21)18-14(19)17-10-4-7-13(16)12(15)8-10/h2-8H,1H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.2287 kcal/mol

Physical Properties
Molecular Weight: 342.778 g/mol	logS: -4.97833	SlogP: 3.29792	Reactive groups: 0

Topological Properties
Globularity: 0.129616	Sterimol/B1: 2.35177	Sterimol/B2: 4.03702	Sterimol/B3: 4.30771
Sterimol/B4: 7.91308	Sterimol/L: 14.498

Surface and Volume Properties
Accessible surface: 537.398	Positive charged surface: 238.979	Negative charged surface: 298.419	Volume: 276
Hydrophobic surface: 420.403	Hydrophilic surface: 116.995

Pharmacophoric Properties
Hydrogen bond donors: 2	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.