MMsINC Database Search


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MMsINC code: MMs01523412

Type: Neutral
Formula: C₂₄H₃₂N₂O₃S

SMILES:

S(=O)(=O)(N1CCC(CC1)C(=O)NCc1ccc(cc1)C)c1c(C)c(cc(C)c1C)C

InChI:

InChI=1/C24H32N2O3S/c1-16-6-8-21(9-7-16)15-25-24(27)22-10-12-26(13-11-22)30(28,29)23-19(4)17(2)14-18(3)20(23)5/h6-9,14,22H,10-13,15H2,1-5H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.498 kcal/mol

Physical Properties
Molecular Weight: 428.597 g/mol	logS: -5.29047	SlogP: 4.2122	Reactive groups: 0

Topological Properties
Globularity: 0.132043	Sterimol/B1: 4.13131	Sterimol/B2: 4.57312	Sterimol/B3: 5.45934
Sterimol/B4: 6.75378	Sterimol/L: 17.5607

Surface and Volume Properties
Accessible surface: 701.106	Positive charged surface: 442.303	Negative charged surface: 258.803	Volume: 419.75
Hydrophobic surface: 612.486	Hydrophilic surface: 88.62

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.