MMsINC Database Search


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MMsINC code: MMs02521604

Type: Neutral
Formula: C₁₀H₁₄N₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)N)c1ccccc1C)C

InChI:

InChI=1/C10H14N2O3S/c1-8-5-3-4-6-9(8)12(7-10(11)13)16(2,14)15/h3-6H,7H2,1-2H3,(H2,11,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.968 kcal/mol

Physical Properties
Molecular Weight: 242.299 g/mol	logS: -1.73747	SlogP: 0.24632	Reactive groups: 0

Topological Properties
Globularity: 0.361625	Sterimol/B1: 2.41806	Sterimol/B2: 3.86957	Sterimol/B3: 5.56214
Sterimol/B4: 5.99045	Sterimol/L: 10.8547

Surface and Volume Properties
Accessible surface: 419.291	Positive charged surface: 239.173	Negative charged surface: 180.117	Volume: 217.25
Hydrophobic surface: 266.304	Hydrophilic surface: 152.987

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.