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MMsINC code: MMs03911383

Type: Ionized
Formula: C₁₈H₁₃N₂O₂-

SMILES:

O=C([O-])c1ccccc1C1Nc2c(-n3c1ccc3)cccc2

InChI:

InChI=1/C18H14N2O2/c21-18(22)13-7-2-1-6-12(13)17-16-10-5-11-20(16)15-9-4-3-8-14(15)19-17/h1-11,17,19H,(H,21,22)/p-1/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.5263 kcal/mol

Physical Properties
Molecular Weight: 289.314 g/mol	logS: -3.6155	SlogP: 2.4512	Reactive groups: 0

Topological Properties
Globularity: 0.167031	Sterimol/B1: 2.32198	Sterimol/B2: 5.00538	Sterimol/B3: 5.75782
Sterimol/B4: 5.88349	Sterimol/L: 13.0716

Surface and Volume Properties
Accessible surface: 493.475	Positive charged surface: 234.821	Negative charged surface: 258.655	Volume: 275.625
Hydrophobic surface: 398.667	Hydrophilic surface: 94.808

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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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Parent related molecule:

MMs03911382
RSCI-ZINC00138122