MMsINC Database Search


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MMsINC code: MMs02932011

Type: Neutral
Formula: C₁₆H₂₄N₂O₃S₂

SMILES:

S(CCNS(=O)(=O)c1ccc(NC(=O)C)cc1)C1CCCCC1

InChI:

InChI=1/C16H24N2O3S2/c1-13(19)18-14-7-9-16(10-8-14)23(20,21)17-11-12-22-15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-12H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.7606 kcal/mol

Physical Properties
Molecular Weight: 356.511 g/mol	logS: -3.89533	SlogP: 2.9892	Reactive groups: 0

Topological Properties
Globularity: 0.0572343	Sterimol/B1: 2.43123	Sterimol/B2: 3.77547	Sterimol/B3: 4.07342
Sterimol/B4: 8.05016	Sterimol/L: 19.1577

Surface and Volume Properties
Accessible surface: 627.912	Positive charged surface: 398.145	Negative charged surface: 229.767	Volume: 329.875
Hydrophobic surface: 463.994	Hydrophilic surface: 163.918

Pharmacophoric Properties
Hydrogen bond donors: 2	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.