MMsINC Database Search


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MMsINC code: MMs01074478

Type: Neutral
Formula: C₁₅H₁₃FN₂O

SMILES:

Fc1ccccc1OCCn1c2c(nc1)cccc2

InChI:

InChI=1/C15H13FN2O/c16-12-5-1-4-8-15(12)19-10-9-18-11-17-13-6-2-3-7-14(13)18/h1-8,11H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.0932 kcal/mol

Physical Properties
Molecular Weight: 256.28 g/mol	logS: -3.83829	SlogP: 3.5208	Reactive groups: 0

Topological Properties
Globularity: 0.0916293	Sterimol/B1: 2.54902	Sterimol/B2: 3.43176	Sterimol/B3: 3.71481
Sterimol/B4: 5.98249	Sterimol/L: 14.7957

Surface and Volume Properties
Accessible surface: 486.674	Positive charged surface: 282.639	Negative charged surface: 204.036	Volume: 243.625
Hydrophobic surface: 452.369	Hydrophilic surface: 34.305

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.