MMsINC Database Search


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MMsINC code: MMs01382709

Type: Neutral
Formula: C₂₀H₁₈ClFN₂O₄S

SMILES:

Clc1cc(NC(=O)CN(S(=O)(=O)c2ccccc2F)Cc2occc2)c(cc1)C

InChI:

InChI=1/C20H18ClFN2O4S/c1-14-8-9-15(21)11-18(14)23-20(25)13-24(12-16-5-4-10-28-16)29(26,27)19-7-3-2-6-17(19)22/h2-11H,12-13H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.626 kcal/mol

Physical Properties
Molecular Weight: 436.891 g/mol	logS: -6.00408	SlogP: 4.47652	Reactive groups: 0

Topological Properties
Globularity: 0.130902	Sterimol/B1: 2.713	Sterimol/B2: 3.32883	Sterimol/B3: 7.31112
Sterimol/B4: 9.23628	Sterimol/L: 16.0223

Surface and Volume Properties
Accessible surface: 638.717	Positive charged surface: 302.976	Negative charged surface: 335.741	Volume: 371.375
Hydrophobic surface: 559.228	Hydrophilic surface: 79.489

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.