MMsINC Database Search


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MMsINC code: MMs01465550

Type: Neutral
Formula: C₂₃H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(C)c1ccccc1OC)c1ccc(cc1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C23H24N2O4S/c1-17(18-9-5-4-6-10-18)24-23(26)19-13-15-20(16-14-19)30(27,28)25(2)21-11-7-8-12-22(21)29-3/h4-17H,1-3H3,(H,24,26)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7428 kcal/mol

Physical Properties
Molecular Weight: 424.521 g/mol	logS: -5.41392	SlogP: 4.1068	Reactive groups: 0

Topological Properties
Globularity: 0.0939408	Sterimol/B1: 2.17166	Sterimol/B2: 3.26353	Sterimol/B3: 5.94238
Sterimol/B4: 6.26212	Sterimol/L: 18.6358

Surface and Volume Properties
Accessible surface: 683.25	Positive charged surface: 401.316	Negative charged surface: 281.934	Volume: 399.375
Hydrophobic surface: 578.108	Hydrophilic surface: 105.142

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.