MMsINC Database Search


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MMsINC code: MMs02718656

Type: Neutral
Formula: C₂₄H₂₆N₂O₄S

SMILES:

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

InChI:

InChI=1/C24H26N2O4S/c1-18-7-11-20(12-8-18)16-26(31(28,29)23-13-9-19(2)10-14-23)17-24(27)25-21-5-4-6-22(15-21)30-3/h4-15H,16-17H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.739 kcal/mol

Physical Properties
Molecular Weight: 438.548 g/mol	logS: -6.06099	SlogP: 4.40804	Reactive groups: 0

Topological Properties
Globularity: 0.0799397	Sterimol/B1: 2.42246	Sterimol/B2: 3.35875	Sterimol/B3: 5.49247
Sterimol/B4: 8.75528	Sterimol/L: 19.178

Surface and Volume Properties
Accessible surface: 710.089	Positive charged surface: 431.189	Negative charged surface: 278.9	Volume: 417.25
Hydrophobic surface: 604.96	Hydrophilic surface: 105.129

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.