MMsINC Database Search


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MMsINC code: MMs00746815

Type: Neutral
Formula: C₁₆H₂₄N₂O₃

SMILES:

O(CCCC)CCCNC(=O)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C16H24N2O3/c1-3-4-11-21-12-5-10-17-16(20)14-6-8-15(9-7-14)18-13(2)19/h6-9H,3-5,10-12H2,1-2H3,(H,17,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.4506 kcal/mol

Physical Properties
Molecular Weight: 292.379 g/mol	logS: -3.12907	SlogP: 2.5816	Reactive groups: 0

Topological Properties
Globularity: 0.00954463	Sterimol/B1: 2.4207	Sterimol/B2: 2.50387	Sterimol/B3: 2.74887
Sterimol/B4: 5.73241	Sterimol/L: 22.8232

Surface and Volume Properties
Accessible surface: 622.902	Positive charged surface: 439.589	Negative charged surface: 183.313	Volume: 302.125
Hydrophobic surface: 497.308	Hydrophilic surface: 125.594

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.