MMsINC Database Search


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MMsINC code: MMs00830974

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

O(C)c1nc(nc2c1cccc2)-c1ccccc1O

InChI:

InChI=1/C15H12N2O2/c1-19-15-10-6-2-4-8-12(10)16-14(17-15)11-7-3-5-9-13(11)18/h2-9,18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.8888 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -4.81977	SlogP: 3.011	Reactive groups: 0

Topological Properties
Globularity: 0.00763673	Sterimol/B1: 2.37301	Sterimol/B2: 2.37718	Sterimol/B3: 2.4511
Sterimol/B4: 8.31393	Sterimol/L: 14.1876

Surface and Volume Properties
Accessible surface: 463.482	Positive charged surface: 291.328	Negative charged surface: 161.337	Volume: 241.75
Hydrophobic surface: 399.683	Hydrophilic surface: 63.799

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.