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MMsINC code: MMs02367119

Type: Ionized
Formula: C₁₁H₁₈O₅S-2

SMILES:

S(=O)(=O)([O-])C(CCCCCCCC(=O)[O-])C=C

InChI:

InChI=1/C11H20O5S/c1-2-10(17(14,15)16)8-6-4-3-5-7-9-11(12)13/h2,10H,1,3-9H2,(H,12,13)(H,14,15,16)/p-2/t10-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.7793 kcal/mol

Physical Properties
Molecular Weight: 262.326 g/mol	logS: -2.46802	SlogP: 0.5668	Reactive groups: 0

Topological Properties
Globularity: 0.034756	Sterimol/B1: 2.097	Sterimol/B2: 2.94952	Sterimol/B3: 3.73744
Sterimol/B4: 6.45543	Sterimol/L: 16.7561

Surface and Volume Properties
Accessible surface: 499.584	Positive charged surface: 272.591	Negative charged surface: 226.993	Volume: 238
Hydrophobic surface: 256.819	Hydrophilic surface: 242.765

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 5	Basic groups: 0
Chiral centers: 1

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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Parent related molecule:

MMs02367118
NCID-ZINC01760699