MMsINC Database Search


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MMsINC code: MMs02009059

Type: Neutral
Formula: C₁₅H₂₄N₂O₃S

SMILES:

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

InChI:

InChI=1/C15H24N2O3S/c1-13-8-10-14(11-9-13)21(19,20)16-12-6-4-5-7-15(18)17(2)3/h8-11,16H,4-7,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.9249 kcal/mol

Physical Properties
Molecular Weight: 312.434 g/mol	logS: -2.25059	SlogP: 1.92192	Reactive groups: 0

Topological Properties
Globularity: 0.0422744	Sterimol/B1: 2.34774	Sterimol/B2: 2.84599	Sterimol/B3: 4.5471
Sterimol/B4: 7.92869	Sterimol/L: 18.6705

Surface and Volume Properties
Accessible surface: 604.869	Positive charged surface: 424.397	Negative charged surface: 180.472	Volume: 306.375
Hydrophobic surface: 489.71	Hydrophilic surface: 115.159

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.