MMsINC Database Search


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MMsINC code: MMs02364911

Type: Neutral
Formula: C₁₄H₂₀N₂O₄

SMILES:

O(C(=O)N(CCCC)C)c1cc(NC(OC)=O)ccc1

InChI:

InChI=1/C14H20N2O4/c1-4-5-9-16(2)14(18)20-12-8-6-7-11(10-12)15-13(17)19-3/h6-8,10H,4-5,9H2,1-3H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.7795 kcal/mol

Physical Properties
Molecular Weight: 280.324 g/mol	logS: -2.78938	SlogP: 3.0956	Reactive groups: 0

Topological Properties
Globularity: 0.0794512	Sterimol/B1: 2.43366	Sterimol/B2: 4.90598	Sterimol/B3: 5.43788
Sterimol/B4: 5.52235	Sterimol/L: 17.0232

Surface and Volume Properties
Accessible surface: 566.845	Positive charged surface: 427.294	Negative charged surface: 139.551	Volume: 276.875
Hydrophobic surface: 455.887	Hydrophilic surface: 110.958

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.