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MMsINC code: MMs02585300

Type: Neutral
Formula: C₂₄H₃₄N₂O₂

SMILES:

O(CC(O)CNC1CC(NC(C1)(C)C)(C)C)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C24H34N2O2/c1-23(2)14-20(15-24(3,4)26-23)25-16-21(27)17-28-22-12-10-19(11-13-22)18-8-6-5-7-9-18/h5-13,20-21,25-27H,14-17H2,1-4H3/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.081 kcal/mol

Physical Properties
Molecular Weight: 382.548 g/mol	logS: -5.0542	SlogP: 3.9921	Reactive groups: 0

Topological Properties
Globularity: 0.0402503	Sterimol/B1: 2.226	Sterimol/B2: 4.48366	Sterimol/B3: 4.7399
Sterimol/B4: 6.48556	Sterimol/L: 22.2184

Surface and Volume Properties
Accessible surface: 715.092	Positive charged surface: 458.025	Negative charged surface: 245.933	Volume: 408.875
Hydrophobic surface: 579.532	Hydrophilic surface: 135.56

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs02585301
OTAVA-ZINC04744797