MMsINC Database Search


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MMsINC code: MMs01989753

Type: Neutral
Formula: C₁₄H₁₆N₂O₄

SMILES:

OC(=O)c1ccccc1C(=O)N1CCN(CC1)C(=O)C

InChI:

InChI=1/C14H16N2O4/c1-10(17)15-6-8-16(9-7-15)13(18)11-4-2-3-5-12(11)14(19)20/h2-5H,6-9H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.0267 kcal/mol

Physical Properties
Molecular Weight: 276.292 g/mol	logS: -1.6172	SlogP: 0.6891	Reactive groups: 0

Topological Properties
Globularity: 0.151785	Sterimol/B1: 2.51248	Sterimol/B2: 3.25147	Sterimol/B3: 4.91157
Sterimol/B4: 5.79736	Sterimol/L: 13.3053

Surface and Volume Properties
Accessible surface: 479.35	Positive charged surface: 316.451	Negative charged surface: 162.9	Volume: 254.5
Hydrophobic surface: 337.897	Hydrophilic surface: 141.453

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

MMs01989754
IFLAB-ZINC02456530