MMsINC Database Search


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MMsINC code: MMs00749102

Type: Neutral
Formula: C₁₄H₁₆N₂O₄

SMILES:

O(C(=O)c1ccccc1NC(=O)C(=O)N1CCCC1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.0766 kcal/mol

Physical Properties
Molecular Weight: 276.292 g/mol	logS: -2.58766	SlogP: 1.0341	Reactive groups: 0

Topological Properties
Globularity: 0.0425495	Sterimol/B1: 1.969	Sterimol/B2: 3.04112	Sterimol/B3: 3.64676
Sterimol/B4: 8.5735	Sterimol/L: 14.708

Surface and Volume Properties
Accessible surface: 512.525	Positive charged surface: 373.935	Negative charged surface: 138.59	Volume: 257.625
Hydrophobic surface: 421.648	Hydrophilic surface: 90.877

Pharmacophoric Properties
Hydrogen bond donors: 1	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.