MMsINC Database Search


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MMsINC code: MMs02014263

Type: Neutral
Formula: C₂₄H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N1CCc2c(C1)cccc2)c1ccc(cc1)C(=O)Nc1cccc(C)c1C

InChI:

InChI=1/C24H24N2O3S/c1-17-6-5-9-23(18(17)2)25-24(27)20-10-12-22(13-11-20)30(28,29)26-15-14-19-7-3-4-8-21(19)16-26/h3-13H,14-16H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.912 kcal/mol

Physical Properties
Molecular Weight: 420.533 g/mol	logS: -5.85459	SlogP: 4.56911	Reactive groups: 0

Topological Properties
Globularity: 0.0402362	Sterimol/B1: 2.67777	Sterimol/B2: 2.88891	Sterimol/B3: 5.66982
Sterimol/B4: 6.19954	Sterimol/L: 21.1143

Surface and Volume Properties
Accessible surface: 681.654	Positive charged surface: 383.236	Negative charged surface: 298.418	Volume: 396.5
Hydrophobic surface: 596.464	Hydrophilic surface: 85.19

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.