MMsINC Database Search


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MMsINC code: MMs01440188

Type: Neutral
Formula: C₁₁H₁₄N₂O₄S

SMILES:

S(=O)(=O)(N1CC(=O)NCC1)c1ccccc1OC

InChI:

InChI=1/C11H14N2O4S/c1-17-9-4-2-3-5-10(9)18(15,16)13-7-6-12-11(14)8-13/h2-5H,6-8H2,1H3,(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0863 kcal/mol

Physical Properties
Molecular Weight: 270.309 g/mol	logS: -1.67023	SlogP: -0.1843	Reactive groups: 0

Topological Properties
Globularity: 0.104269	Sterimol/B1: 2.3116	Sterimol/B2: 3.04061	Sterimol/B3: 4.27078
Sterimol/B4: 7.1601	Sterimol/L: 12.5411

Surface and Volume Properties
Accessible surface: 445.674	Positive charged surface: 292.288	Negative charged surface: 153.386	Volume: 231
Hydrophobic surface: 310.457	Hydrophilic surface: 135.217

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.