MMsINC Database Search


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MMsINC code: MMs02068136

Type: Neutral
Formula: C₁₅H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(CCCC)CC)CCNC(=O)c1ccccc1

InChI:

InChI=1/C15H24N2O3S/c1-3-5-12-17(4-2)21(19,20)13-11-16-15(18)14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.5924 kcal/mol

Physical Properties
Molecular Weight: 312.434 g/mol	logS: -2.78646	SlogP: 1.8682	Reactive groups: 0

Topological Properties
Globularity: 0.0654362	Sterimol/B1: 2.33599	Sterimol/B2: 3.61665	Sterimol/B3: 3.8264
Sterimol/B4: 8.78868	Sterimol/L: 16.3506

Surface and Volume Properties
Accessible surface: 586.785	Positive charged surface: 371.323	Negative charged surface: 215.462	Volume: 309
Hydrophobic surface: 446.209	Hydrophilic surface: 140.576

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.