MMsINC Database Search


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MMsINC code: MMs02877659

Type: Neutral
Formula: C₂₆H₂₃NO

SMILES:

O1c2c(-c3c(n(C)c(-c4ccccc4)c3C)C1c1ccc(cc1)C)cccc2

InChI:

InChI=1/C26H23NO/c1-17-13-15-20(16-14-17)26-25-23(21-11-7-8-12-22(21)28-26)18(2)24(27(25)3)19-9-5-4-6-10-19/h4-16,26H,1-3H3/t26-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.778 kcal/mol

Physical Properties
Molecular Weight: 365.476 g/mol	logS: -7.27166	SlogP: 6.91244	Reactive groups: 0

Topological Properties
Globularity: 0.167255	Sterimol/B1: 2.43874	Sterimol/B2: 2.48138	Sterimol/B3: 6.02064
Sterimol/B4: 9.76783	Sterimol/L: 15.6636

Surface and Volume Properties
Accessible surface: 627.782	Positive charged surface: 365.546	Negative charged surface: 262.236	Volume: 376.875
Hydrophobic surface: 605.092	Hydrophilic surface: 22.69

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.