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MMsINC code: MMs02406655

Type: Neutral
Formula: C₂₆H₂₉NO

SMILES:

O(C(c1ccccc1)c1ccccc1)CC1CCN(C1)CCc1ccccc1

InChI:

InChI=1/C26H29NO/c1-4-10-22(11-5-1)16-18-27-19-17-23(20-27)21-28-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23,26H,16-21H2/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9542 kcal/mol

Physical Properties
Molecular Weight: 371.524 g/mol	logS: -5.42318	SlogP: 5.45267	Reactive groups: 0

Topological Properties
Globularity: 0.0674796	Sterimol/B1: 2.76062	Sterimol/B2: 4.94111	Sterimol/B3: 5.82486
Sterimol/B4: 5.87061	Sterimol/L: 18.8873

Surface and Volume Properties
Accessible surface: 712.498	Positive charged surface: 456.019	Negative charged surface: 256.479	Volume: 403.875
Hydrophobic surface: 708.992	Hydrophilic surface: 3.5060000000001

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

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Ions/Tautomers related molecules

MMs02406656
NCID-ZINC04792338