MMsINC Database Search


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MMsINC code: MMs02967977

Type: Neutral
Formula: C₂₆H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1cc2c(cc1)cccc2)c1cc(ccc1C)C)c1ccccc1

InChI:

InChI=1/C26H24N2O3S/c1-19-12-13-20(2)25(16-19)28(32(30,31)24-10-4-3-5-11-24)18-26(29)27-23-15-14-21-8-6-7-9-22(21)17-23/h3-17H,18H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.014 kcal/mol

Physical Properties
Molecular Weight: 444.555 g/mol	logS: -7.631	SlogP: 5.29064	Reactive groups: 0

Topological Properties
Globularity: 0.0589614	Sterimol/B1: 2.29769	Sterimol/B2: 3.91563	Sterimol/B3: 4.1824
Sterimol/B4: 10.1345	Sterimol/L: 18.8964

Surface and Volume Properties
Accessible surface: 693.221	Positive charged surface: 376.101	Negative charged surface: 306.871	Volume: 421.375
Hydrophobic surface: 610.289	Hydrophilic surface: 82.932

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.