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MMsINC code: MMs01341020

Type: Neutral
Formula: C₁₀H₁₃ClN₂O₂S

SMILES:

Clc1cc(S(=O)(=O)N2CCCC2)ccc1N

InChI:

InChI=1/C10H13ClN2O2S/c11-9-7-8(3-4-10(9)12)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.5739 kcal/mol

Physical Properties
Molecular Weight: 260.745 g/mol	logS: -2.30599	SlogP: 1.7067	Reactive groups: 0

Topological Properties
Globularity: 0.161482	Sterimol/B1: 2.45554	Sterimol/B2: 3.66028	Sterimol/B3: 4.17974
Sterimol/B4: 5.91389	Sterimol/L: 12.4607

Surface and Volume Properties
Accessible surface: 439.223	Positive charged surface: 251.637	Negative charged surface: 187.585	Volume: 222.375
Hydrophobic surface: 326.538	Hydrophilic surface: 112.685

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.