MMsINC Database Search


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MMsINC code: MMs03158167

Type: Neutral
Formula: C₁₇H₂₄N₂O₂

SMILES:

O=C(N1CCC(CC1)C)c1ccc(NC(=O)CCC)cc1

InChI:

InChI=1/C17H24N2O2/c1-3-4-16(20)18-15-7-5-14(6-8-15)17(21)19-11-9-13(2)10-12-19/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7526 kcal/mol

Physical Properties
Molecular Weight: 288.391 g/mol	logS: -3.62083	SlogP: 3.2973	Reactive groups: 0

Topological Properties
Globularity: 0.04899	Sterimol/B1: 3.07635	Sterimol/B2: 3.71233	Sterimol/B3: 4.39574
Sterimol/B4: 5.0593	Sterimol/L: 18.6835

Surface and Volume Properties
Accessible surface: 570.178	Positive charged surface: 410.494	Negative charged surface: 159.684	Volume: 297.875
Hydrophobic surface: 449.05	Hydrophilic surface: 121.128

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

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Ions/Tautomers related molecules: no related molecules available.