MMsINC Database Search


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MMsINC code: MMs00371151

Type: Neutral
Formula: C₂₄H₂₉NO₃S

SMILES:

S(=O)(=O)(Nc1ccc(O)cc1)c1cc(cc2c1cc(cc2)C(C)(C)C)C(C)(C)C

InChI:

InChI=1/C24H29NO3S/c1-23(2,3)17-8-7-16-13-18(24(4,5)6)15-22(21(16)14-17)29(27,28)25-19-9-11-20(26)12-10-19/h7-15,25-26H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.1 kcal/mol

Physical Properties
Molecular Weight: 411.566 g/mol	logS: -8.60181	SlogP: 5.9412	Reactive groups: 0

Topological Properties
Globularity: 0.172938	Sterimol/B1: 3.02181	Sterimol/B2: 3.90971	Sterimol/B3: 6.08251
Sterimol/B4: 9.22717	Sterimol/L: 14.5464

Surface and Volume Properties
Accessible surface: 651.284	Positive charged surface: 373.028	Negative charged surface: 270.043	Volume: 400
Hydrophobic surface: 437.676	Hydrophilic surface: 213.608

Pharmacophoric Properties
Hydrogen bond donors: 2	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.