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MMsINC code: MMs01181808

Type: Neutral
Formula: C₂₇H₂₆N₂O₂

SMILES:

O1CCc2cc(ccc12)C(=O)N(Cc1n(c2c(c1)cccc2)C)CCc1ccccc1

InChI:

InChI=1/C27H26N2O2/c1-28-24(18-21-9-5-6-10-25(21)28)19-29(15-13-20-7-3-2-4-8-20)27(30)23-11-12-26-22(17-23)14-16-31-26/h2-12,17-18H,13-16,19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.822 kcal/mol

Physical Properties
Molecular Weight: 410.517 g/mol	logS: -5.59337	SlogP: 5.62384	Reactive groups: 0

Topological Properties
Globularity: 0.0969756	Sterimol/B1: 2.12404	Sterimol/B2: 6.017	Sterimol/B3: 6.05416
Sterimol/B4: 8.30032	Sterimol/L: 17.6659

Surface and Volume Properties
Accessible surface: 695.014	Positive charged surface: 430.582	Negative charged surface: 259.613	Volume: 416.75
Hydrophobic surface: 647.437	Hydrophilic surface: 47.577

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.