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MMsINC code: MMs01720912

Type: Neutral
Formula: C₁₇H₂₄N₂O₂

SMILES:

O=C(C)c1ccc(NC(=O)CN2CCCCCCC2)cc1

InChI:

InChI=1/C17H24N2O2/c1-14(20)15-7-9-16(10-8-15)18-17(21)13-19-11-5-3-2-4-6-12-19/h7-10H,2-6,11-13H2,1H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.242 kcal/mol

Physical Properties
Molecular Weight: 288.391 g/mol	logS: -3.26827	SlogP: 3.0938	Reactive groups: 0

Topological Properties
Globularity: 0.0613288	Sterimol/B1: 2.52147	Sterimol/B2: 3.45664	Sterimol/B3: 4.16172
Sterimol/B4: 6.53709	Sterimol/L: 16.0192

Surface and Volume Properties
Accessible surface: 544.219	Positive charged surface: 386.122	Negative charged surface: 158.098	Volume: 296.25
Hydrophobic surface: 474.216	Hydrophilic surface: 70.003

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

MMs01720913
ENAMINE-ZINC07016212