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MMsINC code: MMs00686448

Type: Neutral
Formula: C₂₇H₂₆N₂O₃

SMILES:

O(C)c1cc(OC)ccc1-c1nc2c(cccc2)c(c1)C(=O)Nc1ccccc1C(C)C

InChI:

InChI=1/C27H26N2O3/c1-17(2)19-9-5-7-11-23(19)29-27(30)22-16-25(28-24-12-8-6-10-20(22)24)21-14-13-18(31-3)15-26(21)32-4/h5-17H,1-4H3,(H,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=163.542 kcal/mol

Physical Properties
Molecular Weight: 426.516 g/mol	logS: -7.63026	SlogP: 6.2947	Reactive groups: 0

Topological Properties
Globularity: 0.0390556	Sterimol/B1: 2.79135	Sterimol/B2: 3.91572	Sterimol/B3: 4.43381
Sterimol/B4: 11.2402	Sterimol/L: 17.1369

Surface and Volume Properties
Accessible surface: 715.467	Positive charged surface: 466.831	Negative charged surface: 238.737	Volume: 424.875
Hydrophobic surface: 629.015	Hydrophilic surface: 86.452

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.