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MMsINC code: MMs03617364

Type: Neutral
Formula: C₂₅H₂₄N₂O₃

SMILES:

o1c2c(nc1-c1cc(C)c(cc1)C)cc(NC(=O)COc1cc(C)c(cc1)C)cc2

InChI:

InChI=1/C25H24N2O3/c1-15-5-7-19(11-17(15)3)25-27-22-13-20(8-10-23(22)30-25)26-24(28)14-29-21-9-6-16(2)18(4)12-21/h5-13H,14H2,1-4H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.145 kcal/mol

Physical Properties
Molecular Weight: 400.478 g/mol	logS: -8.64304	SlogP: 5.74598	Reactive groups: 0

Topological Properties
Globularity: 0.00871686	Sterimol/B1: 2.52761	Sterimol/B2: 2.57361	Sterimol/B3: 3.36648
Sterimol/B4: 8.25385	Sterimol/L: 23.0311

Surface and Volume Properties
Accessible surface: 733.852	Positive charged surface: 443.302	Negative charged surface: 290.55	Volume: 395
Hydrophobic surface: 640.383	Hydrophilic surface: 93.469

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.