MMsINC Database Search


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MMsINC code: MMs02647123

Type: Ionized
Formula: C₁₁H₁₉N₂O₄S-

SMILES:

S(=O)(=O)(N1CCC(CC1)C(=O)[O-])N1CCCCC1

InChI:

InChI=1/C11H20N2O4S/c14-11(15)10-4-8-13(9-5-10)18(16,17)12-6-2-1-3-7-12/h10H,1-9H2,(H,14,15)/p-1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-30.5462 kcal/mol

Physical Properties
Molecular Weight: 275.349 g/mol	logS: -0.56675	SlogP: -0.821	Reactive groups: 0

Topological Properties
Globularity: 0.240953	Sterimol/B1: 2.8373	Sterimol/B2: 3.55416	Sterimol/B3: 3.96194
Sterimol/B4: 6.18351	Sterimol/L: 12.5789

Surface and Volume Properties
Accessible surface: 453.63	Positive charged surface: 301.471	Negative charged surface: 152.159	Volume: 245.5
Hydrophobic surface: 306.876	Hydrophilic surface: 146.754

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs02647122
PUBCHEM-ZINC00259604