MMsINC Database Search


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MMsINC code: MMs03261868

Type: Neutral
Formula: C₁₅H₁₇NO₄S₂

SMILES:

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

InChI:

InChI=1/C15H17NO4S2/c1-12-4-8-14(9-5-12)21(17,18)16(3)22(19,20)15-10-6-13(2)7-11-15/h4-11H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.1104 kcal/mol

Physical Properties
Molecular Weight: 339.436 g/mol	logS: -4.11166	SlogP: 2.31284	Reactive groups: 0

Topological Properties
Globularity: 0.0516023	Sterimol/B1: 3.0495	Sterimol/B2: 3.65058	Sterimol/B3: 4.61456
Sterimol/B4: 5.5735	Sterimol/L: 16.7359

Surface and Volume Properties
Accessible surface: 532.677	Positive charged surface: 288.513	Negative charged surface: 244.164	Volume: 296.25
Hydrophobic surface: 443.425	Hydrophilic surface: 89.252

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.