MMsINC Database Search


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MMsINC code: MMs00749192

Type: Neutral
Formula: C₁₄H₁₆N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)C(=O)N2CCCC2)cc1)C

InChI:

InChI=1/C14H16N2O4/c1-20-14(19)10-4-6-11(7-5-10)15-12(17)13(18)16-8-2-3-9-16/h4-7H,2-3,8-9H2,1H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.5181 kcal/mol

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

Topological Properties
Globularity: 0.0236768	Sterimol/B1: 3.00487	Sterimol/B2: 3.21073	Sterimol/B3: 3.39797
Sterimol/B4: 4.69735	Sterimol/L: 17.8955

Surface and Volume Properties
Accessible surface: 520.975	Positive charged surface: 374.968	Negative charged surface: 146.008	Volume: 258.375
Hydrophobic surface: 407.134	Hydrophilic surface: 113.841

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.