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MMsINC code: MMs02667630

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)CCN2CCCC2)cc1

InChI:

InChI=1/C20H24N2O2/c23-20(12-15-22-13-4-5-14-22)21-18-8-10-19(11-9-18)24-16-17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-16H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.4602 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -3.73744	SlogP: 3.9564	Reactive groups: 0

Topological Properties
Globularity: 0.0264907	Sterimol/B1: 2.62278	Sterimol/B2: 3.4645	Sterimol/B3: 3.47524
Sterimol/B4: 5.13727	Sterimol/L: 21.7124

Surface and Volume Properties
Accessible surface: 647.404	Positive charged surface: 442.565	Negative charged surface: 204.84	Volume: 336.25
Hydrophobic surface: 591.477	Hydrophilic surface: 55.927

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02667631
PUBCHEM-ZINC00380730