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MMsINC code: MMs01764678

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(C)c1cc(N(C(=O)c2ccccc2C)CC2=Cc3c(NC2=O)cc(cc3)C)ccc1

InChI:

InChI=1/C26H24N2O3/c1-17-11-12-19-14-20(25(29)27-24(19)13-17)16-28(21-8-6-9-22(15-21)31-3)26(30)23-10-5-4-7-18(23)2/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)=153.168 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -6.88134	SlogP: 4.99454	Reactive groups: 0

Topological Properties
Globularity: 0.154736	Sterimol/B1: 2.396	Sterimol/B2: 3.731	Sterimol/B3: 4.94825
Sterimol/B4: 9.86299	Sterimol/L: 16.6858

Surface and Volume Properties
Accessible surface: 651.123	Positive charged surface: 415.17	Negative charged surface: 235.952	Volume: 400.75
Hydrophobic surface: 569.215	Hydrophilic surface: 81.908

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.