MMsINC Database Search


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MMsINC code: MMs02406074

Type: Neutral
Formula: C₁₆H₁₆N₂O₃

SMILES:

O(c1ccc(cc1)/C(=N/O)/C)c1ccc(cc1)/C(=N/O)/C

InChI:

InChI=1/C16H16N2O3/c1-11(17-19)13-3-7-15(8-4-13)21-16-9-5-14(6-10-16)12(2)18-20/h3-10,19-20H,1-2H3/b17-11-,18-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.742 kcal/mol

Physical Properties
Molecular Weight: 284.315 g/mol	logS: -3.42257	SlogP: 3.8753	Reactive groups: 0

Topological Properties
Globularity: 0.0676153	Sterimol/B1: 2.33437	Sterimol/B2: 2.39807	Sterimol/B3: 4.74217
Sterimol/B4: 6.58733	Sterimol/L: 15.8112

Surface and Volume Properties
Accessible surface: 539.307	Positive charged surface: 325.625	Negative charged surface: 213.682	Volume: 275.375
Hydrophobic surface: 393.204	Hydrophilic surface: 146.103

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.