MMsINC Database Search


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MMsINC code: MMs01016737

Type: Neutral
Formula: C₂₄H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N1CCc2cc(ccc12)C(=O)N(Cc1ccccc1)Cc1ccccc1)C

InChI:

InChI=1/C24H24N2O3S/c1-30(28,29)26-15-14-21-16-22(12-13-23(21)26)24(27)25(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-13,16H,14-15,17-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.859 kcal/mol

Physical Properties
Molecular Weight: 420.533 g/mol	logS: -5.05825	SlogP: 4.38407	Reactive groups: 0

Topological Properties
Globularity: 0.0722211	Sterimol/B1: 3.92177	Sterimol/B2: 4.10742	Sterimol/B3: 5.49173
Sterimol/B4: 7.83665	Sterimol/L: 15.5269

Surface and Volume Properties
Accessible surface: 668.71	Positive charged surface: 373.327	Negative charged surface: 295.383	Volume: 397.375
Hydrophobic surface: 572.14	Hydrophilic surface: 96.57

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.