MMsINC Database Search


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MMsINC code: MMs01234421

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₃S

SMILES:

Clc1cc(S(=O)(=O)NCc2ccc(cc2)C(=O)N2CCCCC2)ccc1F

InChI:

InChI=1/C19H20ClFN2O3S/c20-17-12-16(8-9-18(17)21)27(25,26)22-13-14-4-6-15(7-5-14)19(24)23-10-2-1-3-11-23/h4-9,12,22H,1-3,10-11,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.7067 kcal/mol

Physical Properties
Molecular Weight: 410.897 g/mol	logS: -4.81432	SlogP: 3.8501	Reactive groups: 0

Topological Properties
Globularity: 0.063817	Sterimol/B1: 3.04418	Sterimol/B2: 4.0272	Sterimol/B3: 4.9774
Sterimol/B4: 5.69753	Sterimol/L: 18.4004

Surface and Volume Properties
Accessible surface: 643.929	Positive charged surface: 341.645	Negative charged surface: 302.284	Volume: 352.125
Hydrophobic surface: 528.468	Hydrophilic surface: 115.461

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.