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MMsINC code: MMs01439475

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O(C)c1cc(ccc1)CN(C(C(=O)Nc1ccc(cc1)C)c1ccccc1)C

InChI:

InChI=1/C24H26N2O2/c1-18-12-14-21(15-13-18)25-24(27)23(20-9-5-4-6-10-20)26(2)17-19-8-7-11-22(16-19)28-3/h4-16,23H,17H2,1-3H3,(H,25,27)/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.102 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -5.54496	SlogP: 5.17732	Reactive groups: 0

Topological Properties
Globularity: 0.0795228	Sterimol/B1: 2.50529	Sterimol/B2: 4.08816	Sterimol/B3: 4.1739
Sterimol/B4: 10.7342	Sterimol/L: 18.5812

Surface and Volume Properties
Accessible surface: 672.682	Positive charged surface: 441.37	Negative charged surface: 231.312	Volume: 387.75
Hydrophobic surface: 636.556	Hydrophilic surface: 36.126

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01439476
ENAMINE-ZINC03434177