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MMsINC code: MMs00577743

Type: Neutral
Formula: C₂₄H₂₆N₂O

SMILES:

O=C(NC(C)c1ccccc1)CN(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C24H26N2O/c1-20(23-15-9-4-10-16-23)25-24(27)19-26(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16,20H,17-19H2,1H3,(H,25,27)/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.79 kcal/mol

Physical Properties
Molecular Weight: 358.485 g/mol	logS: -5.29191	SlogP: 5.1945	Reactive groups: 0

Topological Properties
Globularity: 0.0775168	Sterimol/B1: 2.21437	Sterimol/B2: 5.76398	Sterimol/B3: 6.05882
Sterimol/B4: 6.77054	Sterimol/L: 17.6414

Surface and Volume Properties
Accessible surface: 647.943	Positive charged surface: 377.018	Negative charged surface: 270.924	Volume: 376.75
Hydrophobic surface: 585.06	Hydrophilic surface: 62.883

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00577744
CHEMBLOCK-ZINC04761603