MMsINC Database Search


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MMsINC code: MMs00228713

Type: Neutral
Formula: C₂₀H₁₄FN

SMILES:

Fc1ccc(cc1)-c1nc2c(c3c(cc2)cccc3)c(c1)C

InChI:

InChI=1/C20H14FN/c1-13-12-19(15-6-9-16(21)10-7-15)22-18-11-8-14-4-2-3-5-17(14)20(13)18/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.73 kcal/mol

Physical Properties
Molecular Weight: 287.337 g/mol	logS: -7.01538	SlogP: 5.50252	Reactive groups: 0

Topological Properties
Globularity: 0.0152495	Sterimol/B1: 2.08024	Sterimol/B2: 2.09977	Sterimol/B3: 3.28582
Sterimol/B4: 7.40309	Sterimol/L: 16.6012

Surface and Volume Properties
Accessible surface: 511.544	Positive charged surface: 252.269	Negative charged surface: 240.2	Volume: 282
Hydrophobic surface: 491.624	Hydrophilic surface: 19.92

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: 1

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Ions/Tautomers related molecules: no related molecules available.