MMsINC Database Search


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MMsINC code: MMs03241797

Type: Neutral
Formula: C₁₇H₁₁FN₄

SMILES:

Fc1ccccc1-c1cc(nc(N)c1C#N)-c1ncccc1

InChI:

InChI=1/C17H11FN4/c18-14-6-2-1-5-11(14)12-9-16(15-7-3-4-8-21-15)22-17(20)13(12)10-19/h1-9H,(H2,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.7376 kcal/mol

Physical Properties
Molecular Weight: 290.301 g/mol	logS: -4.33701	SlogP: 3.40358	Reactive groups: 0

Topological Properties
Globularity: 0.0519642	Sterimol/B1: 2.35695	Sterimol/B2: 2.97258	Sterimol/B3: 4.5706
Sterimol/B4: 7.66017	Sterimol/L: 14.6355

Surface and Volume Properties
Accessible surface: 517.005	Positive charged surface: 293.361	Negative charged surface: 221.984	Volume: 267.25
Hydrophobic surface: 366.5	Hydrophilic surface: 150.505

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.