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MMsINC code: MMs02762818

Type: Neutral
Formula: C₂₃H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(C(C(=O)Nc1ccccc1-c1ccccc1)C)c1ccc(cc1)C)C

InChI:

InChI=1/C23H24N2O3S/c1-17-13-15-20(16-14-17)25(29(3,27)28)18(2)23(26)24-22-12-8-7-11-21(22)19-9-5-4-6-10-19/h4-16,18H,1-3H3,(H,24,26)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.52 kcal/mol

Physical Properties
Molecular Weight: 408.522 g/mol	logS: -6.52238	SlogP: 4.45522	Reactive groups: 0

Topological Properties
Globularity: 0.263536	Sterimol/B1: 2.10174	Sterimol/B2: 4.14509	Sterimol/B3: 6.85408
Sterimol/B4: 9.0427	Sterimol/L: 15.9275

Surface and Volume Properties
Accessible surface: 657.642	Positive charged surface: 350.78	Negative charged surface: 303.246	Volume: 389.25
Hydrophobic surface: 570.973	Hydrophilic surface: 86.669

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.