MMsINC Database Search


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MMsINC code: MMs00195624

Type: Neutral
Formula: C₂₃H₂₅N₃O₃S

SMILES:

S(=O)(=O)(N(CCc1ccccc1)CC(=O)NCc1ncccc1)c1ccc(cc1)C

InChI:

InChI=1/C23H25N3O3S/c1-19-10-12-22(13-11-19)30(28,29)26(16-14-20-7-3-2-4-8-20)18-23(27)25-17-21-9-5-6-15-24-21/h2-13,15H,14,16-18H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.0883 kcal/mol

Physical Properties
Molecular Weight: 423.537 g/mol	logS: -4.43698	SlogP: 3.20619	Reactive groups: 0

Topological Properties
Globularity: 0.101737	Sterimol/B1: 2.42601	Sterimol/B2: 2.45778	Sterimol/B3: 6.54955
Sterimol/B4: 11.9694	Sterimol/L: 17.8304

Surface and Volume Properties
Accessible surface: 724.362	Positive charged surface: 435.516	Negative charged surface: 288.847	Volume: 408.875
Hydrophobic surface: 624.166	Hydrophilic surface: 100.196

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.