MMsINC Database Search


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MMsINC code: MMs00000091

Type: Neutral
Formula: C₁₄H₁₀FN

SMILES:

Fc1ccc(cc1)-c1[nH]c2c(c1)cccc2

InChI:

InChI=1/C14H10FN/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.042 kcal/mol

Physical Properties
Molecular Weight: 211.239 g/mol	logS: -4.36494	SlogP: 3.974	Reactive groups: 0

Topological Properties
Globularity: 4.48528e-07	Sterimol/B1: 2.09722	Sterimol/B2: 2.10308	Sterimol/B3: 3.2787
Sterimol/B4: 4.63611	Sterimol/L: 14.0786

Surface and Volume Properties
Accessible surface: 420.135	Positive charged surface: 194.264	Negative charged surface: 220.028	Volume: 206.625
Hydrophobic surface: 397.2	Hydrophilic surface: 22.935

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.