MMsINC Database Search


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MMsINC code: MMs00604984

Type: Neutral
Formula: C₁₈H₂₄N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1)CC

InChI:

InChI=1/C18H24N2O4/c1-2-24-18(23)14-8-10-15(11-9-14)20-16(21)12-19-17(22)13-6-4-3-5-7-13/h8-11,13H,2-7,12H2,1H3,(H,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2045 kcal/mol

Physical Properties
Molecular Weight: 332.4 g/mol	logS: -4.323	SlogP: 2.4983	Reactive groups: 0

Topological Properties
Globularity: 0.0154871	Sterimol/B1: 2.63568	Sterimol/B2: 3.52994	Sterimol/B3: 4.24482
Sterimol/B4: 4.38879	Sterimol/L: 21.7203

Surface and Volume Properties
Accessible surface: 634.061	Positive charged surface: 450.16	Negative charged surface: 183.901	Volume: 325.875
Hydrophobic surface: 487.663	Hydrophilic surface: 146.398

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.