MMsINC Database Search


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MMsINC code: MMs02683962

Type: Neutral
Formula: C₁₄H₂₀N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)NNC(=O)C(C)(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.2283 kcal/mol

Physical Properties
Molecular Weight: 280.324 g/mol	logS: -2.52893	SlogP: 1.5109	Reactive groups: 0

Topological Properties
Globularity: 0.032159	Sterimol/B1: 3.05639	Sterimol/B2: 3.62365	Sterimol/B3: 3.62466
Sterimol/B4: 6.49964	Sterimol/L: 16.3199

Surface and Volume Properties
Accessible surface: 544.84	Positive charged surface: 382.293	Negative charged surface: 162.547	Volume: 275.75
Hydrophobic surface: 389.286	Hydrophilic surface: 155.554

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.