MMsINC Database Search


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MMsINC code: MMs02689163

Type: Neutral
Formula: C₁₀H₁₄N₂O₃S

SMILES:

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

InChI:

InChI=1/C10H14N2O3S/c1-7-3-5-9(6-4-7)16(14,15)12-8(2)10(11)13/h3-6,8,12H,1-2H3,(H2,11,13)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.2754 kcal/mol

Physical Properties
Molecular Weight: 242.299 g/mol	logS: -2.30255	SlogP: 0.14712	Reactive groups: 0

Topological Properties
Globularity: 0.110373	Sterimol/B1: 2.53541	Sterimol/B2: 3.10945	Sterimol/B3: 4.22175
Sterimol/B4: 6.18504	Sterimol/L: 13.3496

Surface and Volume Properties
Accessible surface: 434.406	Positive charged surface: 237.638	Negative charged surface: 196.769	Volume: 215.375
Hydrophobic surface: 237.569	Hydrophilic surface: 196.837

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	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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Ions/Tautomers related molecules: no related molecules available.