MMsINC Database Search


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MMsINC code: MMs02676657

Type: Neutral
Formula: C₁₅H₁₁FN₂O

SMILES:

Fc1cc(-c2n(ncc2)-c2ccccc2)c(O)cc1

InChI:

InChI=1/C15H11FN2O/c16-11-6-7-15(19)13(10-11)14-8-9-17-18(14)12-4-2-1-3-5-12/h1-10,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.8489 kcal/mol

Physical Properties
Molecular Weight: 254.264 g/mol	logS: -3.867	SlogP: 3.384	Reactive groups: 0

Topological Properties
Globularity: 0.15399	Sterimol/B1: 2.86078	Sterimol/B2: 3.14786	Sterimol/B3: 4.06089
Sterimol/B4: 7.67425	Sterimol/L: 11.8802

Surface and Volume Properties
Accessible surface: 448.949	Positive charged surface: 249.813	Negative charged surface: 199.135	Volume: 238
Hydrophobic surface: 393.513	Hydrophilic surface: 55.436

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.