MMsINC Database Search


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MMsINC code: MMs01446650

Type: Neutral
Formula: C₂₄H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N1CCc2c1cccc2)c1cc(ccc1)C(=O)N(Cc1ccc(cc1)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.663 kcal/mol

Physical Properties
Molecular Weight: 420.533 g/mol	logS: -5.58813	SlogP: 4.28499	Reactive groups: 0

Topological Properties
Globularity: 0.0616512	Sterimol/B1: 2.59275	Sterimol/B2: 3.20164	Sterimol/B3: 5.52592
Sterimol/B4: 7.55797	Sterimol/L: 19.7661

Surface and Volume Properties
Accessible surface: 687.287	Positive charged surface: 407.927	Negative charged surface: 279.36	Volume: 398
Hydrophobic surface: 601.227	Hydrophilic surface: 86.06

Pharmacophoric Properties
Hydrogen bond donors: 0	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.