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MMsINC code: MMs00888800

Type: Neutral
Formula: C₂₄H₃₃NO₂

SMILES:

O1CCN(CC1)CC(C(O)(CCC)c1ccc(cc1)CC)c1ccccc1

InChI:

InChI=1/C24H33NO2/c1-3-14-24(26,22-12-10-20(4-2)11-13-22)23(21-8-6-5-7-9-21)19-25-15-17-27-18-16-25/h5-13,23,26H,3-4,14-19H2,1-2H3/t23-,24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.901 kcal/mol

Physical Properties
Molecular Weight: 367.533 g/mol	logS: -5.08254	SlogP: 4.66417	Reactive groups: 0

Topological Properties
Globularity: 0.126151	Sterimol/B1: 2.14019	Sterimol/B2: 2.54533	Sterimol/B3: 5.10929
Sterimol/B4: 11.5413	Sterimol/L: 16.2844

Surface and Volume Properties
Accessible surface: 635.917	Positive charged surface: 479.68	Negative charged surface: 156.236	Volume: 388.5
Hydrophobic surface: 562.43	Hydrophilic surface: 73.487

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00888801
CHEMDIV-ZINC02907813