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MMsINC code: MMs03117041

Type: Neutral
Formula: C₂₇H₃₀N₂O₂

SMILES:

O(C)c1cc(ccc1)C(=O)N(Cc1cc2c3c(n(c2cc1)CC)cccc3)CC(C)C

InChI:

InChI=1/C27H30N2O2/c1-5-29-25-12-7-6-11-23(25)24-15-20(13-14-26(24)29)18-28(17-19(2)3)27(30)21-9-8-10-22(16-21)31-4/h6-16,19H,5,17-18H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.79 kcal/mol

Physical Properties
Molecular Weight: 414.549 g/mol	logS: -6.33185	SlogP: 6.6542	Reactive groups: 0

Topological Properties
Globularity: 0.12287	Sterimol/B1: 3.07788	Sterimol/B2: 4.11728	Sterimol/B3: 4.67965
Sterimol/B4: 9.81156	Sterimol/L: 17.173

Surface and Volume Properties
Accessible surface: 715.737	Positive charged surface: 451.655	Negative charged surface: 251.919	Volume: 428.625
Hydrophobic surface: 619.964	Hydrophilic surface: 95.773

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.