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MMsINC code: MMs03012364

Type: Neutral
Formula: C₂₉H₂₃NO₂

SMILES:

O(CC(=O)c1c2c(n(C)c1-c1ccccc1)cccc2)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C29H23NO2/c1-30-26-15-9-8-14-25(26)28(29(30)23-12-6-3-7-13-23)27(31)20-32-24-18-16-22(17-19-24)21-10-4-2-5-11-21/h2-19H,20H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.92 kcal/mol

Physical Properties
Molecular Weight: 417.508 g/mol	logS: -8.53998	SlogP: 7.1332	Reactive groups: 0

Topological Properties
Globularity: 0.0104525	Sterimol/B1: 2.92073	Sterimol/B2: 3.07144	Sterimol/B3: 5.72964
Sterimol/B4: 7.62735	Sterimol/L: 20.0746

Surface and Volume Properties
Accessible surface: 714.152	Positive charged surface: 378.631	Negative charged surface: 319.62	Volume: 420.875
Hydrophobic surface: 682.131	Hydrophilic surface: 32.021

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: 0

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Ions/Tautomers related molecules: no related molecules available.