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MMsINC code: MMs02872826

Type: Neutral
Formula: C₂₄H₂₅NOS

SMILES:

S(C(C(=O)NC(C)c1ccc(cc1)CC)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H25NOS/c1-3-19-14-16-20(17-15-19)18(2)25-24(26)23(21-10-6-4-7-11-21)27-22-12-8-5-9-13-22/h4-18,23H,3H2,1-2H3,(H,25,26)/t18-,23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.9738 kcal/mol

Physical Properties
Molecular Weight: 375.536 g/mol	logS: -7.431	SlogP: 6.15077	Reactive groups: 0

Topological Properties
Globularity: 0.0977538	Sterimol/B1: 3.15409	Sterimol/B2: 4.61602	Sterimol/B3: 4.78425
Sterimol/B4: 9.0198	Sterimol/L: 17.7678

Surface and Volume Properties
Accessible surface: 672.223	Positive charged surface: 377.912	Negative charged surface: 294.311	Volume: 385.375
Hydrophobic surface: 591.492	Hydrophilic surface: 80.731

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.