MMsINC Database Search


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MMsINC code: MMs02776569

Type: Neutral
Formula: C₂₄H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(Cc1ccc(cc1)C)c1ccc(cc1)C(=O)Nc1cc(ccc1)C(=O)C)C

InChI:

InChI=1/C24H24N2O4S/c1-17-7-9-19(10-8-17)16-26(31(3,29)30)23-13-11-20(12-14-23)24(28)25-22-6-4-5-21(15-22)18(2)27/h4-15H,16H2,1-3H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.823 kcal/mol

Physical Properties
Molecular Weight: 436.532 g/mol	logS: -5.82252	SlogP: 4.68252	Reactive groups: 0

Topological Properties
Globularity: 0.0855408	Sterimol/B1: 2.11765	Sterimol/B2: 3.56403	Sterimol/B3: 5.26598
Sterimol/B4: 9.66535	Sterimol/L: 19.0071

Surface and Volume Properties
Accessible surface: 708.547	Positive charged surface: 379.647	Negative charged surface: 328.9	Volume: 408.5
Hydrophobic surface: 560.259	Hydrophilic surface: 148.288

Pharmacophoric Properties
Hydrogen bond donors: 1	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.