MMsINC Database Search


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MMsINC code: MMs01762992

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(C)c1cc(ccc1)C(=O)N(CC1=Cc2c(NC1=O)c(ccc2)C)c1ccccc1C

InChI:

InChI=1/C26H24N2O3/c1-17-8-4-5-13-23(17)28(26(30)20-11-7-12-22(15-20)31-3)16-21-14-19-10-6-9-18(2)24(19)27-25(21)29/h4-15H,16H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.292 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -6.25444	SlogP: 4.99454	Reactive groups: 0

Topological Properties
Globularity: 0.179794	Sterimol/B1: 2.44056	Sterimol/B2: 2.68333	Sterimol/B3: 6.47913
Sterimol/B4: 10.374	Sterimol/L: 15.0449

Surface and Volume Properties
Accessible surface: 667.18	Positive charged surface: 426.003	Negative charged surface: 241.177	Volume: 405.125
Hydrophobic surface: 593.345	Hydrophilic surface: 73.835

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.