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MMsINC code: MMs02249172

Type: Neutral
Formula: C₂₆H₂₅NO

SMILES:

OC(CCN1CCc2c(C1)cccc2)c1cc2c3c(ccc2cc1)cccc3

InChI:

InChI=1/C26H25NO/c28-26(14-16-27-15-13-19-5-1-2-7-23(19)18-27)22-12-11-21-10-9-20-6-3-4-8-24(20)25(21)17-22/h1-12,17,26,28H,13-16,18H2/t26-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.105 kcal/mol

Physical Properties
Molecular Weight: 367.492 g/mol	logS: -6.96309	SlogP: 5.83667	Reactive groups: 0

Topological Properties
Globularity: 0.0908659	Sterimol/B1: 2.85913	Sterimol/B2: 3.20868	Sterimol/B3: 6.33923
Sterimol/B4: 7.02891	Sterimol/L: 18.6487

Surface and Volume Properties
Accessible surface: 660.739	Positive charged surface: 387.156	Negative charged surface: 251.441	Volume: 379.875
Hydrophobic surface: 621.197	Hydrophilic surface: 39.542

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02249173
NCID-ZINC01594836