MMsINC Database Search


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MMsINC code: MMs00187558

Type: Neutral
Formula: C₂₃H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)c1ccc(cc1)C(=O)NCc1ccccc1OC)C

InChI:

InChI=1/C23H24N2O4S/c1-29-22-11-7-6-10-20(22)16-24-23(26)19-12-14-21(15-13-19)25(30(2,27)28)17-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.9095 kcal/mol

Physical Properties
Molecular Weight: 424.521 g/mol	logS: -5.03075	SlogP: 4.1242	Reactive groups: 0

Topological Properties
Globularity: 0.0809444	Sterimol/B1: 2.90238	Sterimol/B2: 3.92747	Sterimol/B3: 4.49781
Sterimol/B4: 8.17799	Sterimol/L: 17.1901

Surface and Volume Properties
Accessible surface: 697.183	Positive charged surface: 405.321	Negative charged surface: 291.862	Volume: 401.25
Hydrophobic surface: 578.607	Hydrophilic surface: 118.576

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.