MMsINC Database Search


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MMsINC code: MMs01242120

Type: Neutral
Formula: C₁₁H₁₄N₂O₃S

SMILES:

S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)N

InChI:

InChI=1/C11H14N2O3S/c12-11(14)9-3-5-10(6-4-9)17(15,16)13-7-1-2-8-13/h3-6H,1-2,7-8H2,(H2,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.8285 kcal/mol

Physical Properties
Molecular Weight: 254.31 g/mol	logS: -2.10294	SlogP: 0.57	Reactive groups: 0

Topological Properties
Globularity: 0.139037	Sterimol/B1: 2.43621	Sterimol/B2: 3.64078	Sterimol/B3: 4.54748
Sterimol/B4: 4.83227	Sterimol/L: 13.418

Surface and Volume Properties
Accessible surface: 443.039	Positive charged surface: 272.402	Negative charged surface: 170.637	Volume: 224
Hydrophobic surface: 284.261	Hydrophilic surface: 158.778

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.