MMsINC Database Search


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MMsINC code: MMs03243788

Type: Neutral
Formula: C₁₆H₁₄FN₃

SMILES:

Fc1cc(N)c(Nc2nc3c(cccc3)c(c2)C)cc1

InChI:

InChI=1/C16H14FN3/c1-10-8-16(19-14-5-3-2-4-12(10)14)20-15-7-6-11(17)9-13(15)18/h2-9H,18H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.1593 kcal/mol

Physical Properties
Molecular Weight: 267.307 g/mol	logS: -4.39478	SlogP: 4.00812	Reactive groups: 0

Topological Properties
Globularity: 0.0235669	Sterimol/B1: 2.30882	Sterimol/B2: 2.48917	Sterimol/B3: 2.91182
Sterimol/B4: 7.60625	Sterimol/L: 13.759

Surface and Volume Properties
Accessible surface: 484.823	Positive charged surface: 275.192	Negative charged surface: 204.87	Volume: 254.75
Hydrophobic surface: 401.713	Hydrophilic surface: 83.11

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.