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MMsINC code: MMs02360749

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

OC(=O)c1ccc(NCc2cc(NCCCc3ccccc3)ccc2)cc1

InChI:

InChI=1/C23H24N2O2/c26-23(27)20-11-13-21(14-12-20)25-17-19-8-4-10-22(16-19)24-15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-14,16,24-25H,5,9,15,17H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.0136 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -4.74624	SlogP: 5.30797	Reactive groups: 0

Topological Properties
Globularity: 0.037463	Sterimol/B1: 2.23554	Sterimol/B2: 3.45793	Sterimol/B3: 4.16705
Sterimol/B4: 8.26247	Sterimol/L: 22.3906

Surface and Volume Properties
Accessible surface: 694.966	Positive charged surface: 423.718	Negative charged surface: 271.248	Volume: 369.875
Hydrophobic surface: 563.268	Hydrophilic surface: 131.698

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs02360750
NCID-ZINC01746109