MMsINC Database Search


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MMsINC code: MMs02558182

Type: Neutral
Formula: C₂₄H₂₄N₂O₄S

SMILES:

S(C1=C(N2CCCCC2)C(=O)N(C1=O)c1ccccc1C(OC)=O)c1ccc(cc1)C

InChI:

InChI=1/C24H24N2O4S/c1-16-10-12-17(13-11-16)31-21-20(25-14-6-3-7-15-25)22(27)26(23(21)28)19-9-5-4-8-18(19)24(29)30-2/h4-5,8-13H,3,6-7,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.943 kcal/mol

Physical Properties
Molecular Weight: 436.532 g/mol	logS: -6.97748	SlogP: 4.14462	Reactive groups: 1

Topological Properties
Globularity: 0.206726	Sterimol/B1: 2.52413	Sterimol/B2: 4.61152	Sterimol/B3: 5.25112
Sterimol/B4: 10.4337	Sterimol/L: 16.2805

Surface and Volume Properties
Accessible surface: 711.007	Positive charged surface: 455.556	Negative charged surface: 255.452	Volume: 411.75
Hydrophobic surface: 607.155	Hydrophilic surface: 103.852

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.