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MMsINC code: MMs00693583

Type: Neutral
Formula: C₂₄H₂₇NO₂

SMILES:

O(CC(O)CN(Cc1ccccc1)Cc1ccccc1)c1cc(ccc1)C

InChI:

InChI=1/C24H27NO2/c1-20-9-8-14-24(15-20)27-19-23(26)18-25(16-21-10-4-2-5-11-21)17-22-12-6-3-7-13-22/h2-15,23,26H,16-19H2,1H3/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.75 kcal/mol

Physical Properties
Molecular Weight: 361.485 g/mol	logS: -5.14033	SlogP: 4.96992	Reactive groups: 0

Topological Properties
Globularity: 0.0944681	Sterimol/B1: 2.94121	Sterimol/B2: 3.58417	Sterimol/B3: 5.07496
Sterimol/B4: 8.07173	Sterimol/L: 18.3045

Surface and Volume Properties
Accessible surface: 679.309	Positive charged surface: 416.882	Negative charged surface: 262.427	Volume: 382.5
Hydrophobic surface: 632.969	Hydrophilic surface: 46.34

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00693584
CHEMBRIDGE-ZINC01250557