MMsINC Database Search


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MMsINC code: MMs00216976

Type: Neutral
Formula: C₁₄H₂₀ClN₃O₆S₂

SMILES:

Clc1cc(N)c(S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1

InChI:

InChI=1/C14H20ClN3O6S2/c15-11-9-12(16)14(26(21,22)18-3-7-24-8-4-18)10-13(11)25(19,20)17-1-5-23-6-2-17/h9-10H,1-8,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4251 kcal/mol

Physical Properties
Molecular Weight: 425.914 g/mol	logS: -2.25013	SlogP: -0.036	Reactive groups: 0

Topological Properties
Globularity: 0.0658058	Sterimol/B1: 2.55843	Sterimol/B2: 3.92431	Sterimol/B3: 4.45972
Sterimol/B4: 6.21477	Sterimol/L: 16.6255

Surface and Volume Properties
Accessible surface: 580.7	Positive charged surface: 385.73	Negative charged surface: 194.97	Volume: 332.5
Hydrophobic surface: 417.222	Hydrophilic surface: 163.478

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.