MMsINC Database Search


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MMsINC code: MMs00136747

Type: Neutral
Formula: C₁₄H₁₆N₂O₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)n1nc(cc1)C

InChI:

InChI=1/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.596 kcal/mol

Physical Properties
Molecular Weight: 276.292 g/mol	logS: -2.33467	SlogP: 1.90582	Reactive groups: 0

Topological Properties
Globularity: 0.0316496	Sterimol/B1: 2.69694	Sterimol/B2: 2.96998	Sterimol/B3: 4.51547
Sterimol/B4: 5.9508	Sterimol/L: 13.7385

Surface and Volume Properties
Accessible surface: 500.453	Positive charged surface: 372	Negative charged surface: 128.453	Volume: 259.375
Hydrophobic surface: 417.056	Hydrophilic surface: 83.397

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.