MMsINC Database Search


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MMsINC code: MMs03317803

Type: Neutral
Formula: C₁₅H₁₀N₂O₃

SMILES:

O1c2c(OC1)cc1nc(cc(O)c1c2)-c1ccncc1

InChI:

InChI=1/C15H10N2O3/c18-13-6-11(9-1-3-16-4-2-9)17-12-7-15-14(5-10(12)13)19-8-20-15/h1-7H,8H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.7598 kcal/mol

Physical Properties
Molecular Weight: 266.256 g/mol	logS: -2.70361	SlogP: 2.7311	Reactive groups: 0

Topological Properties
Globularity: 0.0069481	Sterimol/B1: 2.3129	Sterimol/B2: 2.73271	Sterimol/B3: 2.87234
Sterimol/B4: 6.6282	Sterimol/L: 15.1987

Surface and Volume Properties
Accessible surface: 461.184	Positive charged surface: 304.431	Negative charged surface: 145.682	Volume: 236.375
Hydrophobic surface: 323.711	Hydrophilic surface: 137.473

Pharmacophoric Properties
Hydrogen bond donors: 1	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.