MMsINC Database Search


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MMsINC code: MMs02883179

Type: Neutral
Formula: C₂₅H₁₆FN

SMILES:

Fc1ccc(cc1)-c1cc(nc2c1c1c(cc2)cccc1)-c1ccccc1

InChI:

InChI=1/C25H16FN/c26-20-13-10-18(11-14-20)22-16-24(19-7-2-1-3-8-19)27-23-15-12-17-6-4-5-9-21(17)25(22)23/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.083 kcal/mol

Physical Properties
Molecular Weight: 349.408 g/mol	logS: -8.96784	SlogP: 6.8611	Reactive groups: 0

Topological Properties
Globularity: 0.0419738	Sterimol/B1: 3.54342	Sterimol/B2: 3.59779	Sterimol/B3: 5.78821
Sterimol/B4: 6.50018	Sterimol/L: 16.0419

Surface and Volume Properties
Accessible surface: 577.668	Positive charged surface: 290.525	Negative charged surface: 268.234	Volume: 340.25
Hydrophobic surface: 557.433	Hydrophilic surface: 20.235

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.