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MMsINC code: MMs01456221

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(c1ccc(cc1)C(=O)NCC(N(C)C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H24N2O2/c1-26(2)22(18-9-5-3-6-10-18)17-25-24(28)21-15-13-20(14-16-21)23(27)19-11-7-4-8-12-19/h3-16,22H,17H2,1-2H3,(H,25,28)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.818 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.26961	SlogP: 4.0458	Reactive groups: 0

Topological Properties
Globularity: 0.0350281	Sterimol/B1: 2.23526	Sterimol/B2: 3.31103	Sterimol/B3: 5.19651
Sterimol/B4: 5.73697	Sterimol/L: 21.0816

Surface and Volume Properties
Accessible surface: 659.074	Positive charged surface: 400.138	Negative charged surface: 258.937	Volume: 376.375
Hydrophobic surface: 585.87	Hydrophilic surface: 73.204

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01456222
ENAMINE-ZINC03459403