MMsINC Database Search


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MMsINC code: MMs00138265

Type: Neutral
Formula: C₁₅H₁₀FN₃

SMILES:

Fc1cc2c(n(c3nc4c(nc23)cccc4)C)cc1

InChI:

InChI=1/C15H10FN3/c1-19-13-7-6-9(16)8-10(13)14-15(19)18-12-5-3-2-4-11(12)17-14/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4909 kcal/mol

Physical Properties
Molecular Weight: 251.264 g/mol	logS: -4.68807	SlogP: 3.773	Reactive groups: 0

Topological Properties
Globularity: 0.00519468	Sterimol/B1: 2.00885	Sterimol/B2: 2.10619	Sterimol/B3: 2.51265
Sterimol/B4: 7.40572	Sterimol/L: 14.0641

Surface and Volume Properties
Accessible surface: 454.217	Positive charged surface: 262.606	Negative charged surface: 186.051	Volume: 229.875
Hydrophobic surface: 411.044	Hydrophilic surface: 43.173

Pharmacophoric Properties
Hydrogen bond donors: 0	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.