MMsINC Database Search


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MMsINC code: MMs02360010

Type: Neutral
Formula: C₈H₁₀FN

SMILES:

Fc1cc(N)c(cc1C)C

InChI:

InChI=1/C8H10FN/c1-5-3-6(2)8(10)4-7(5)9/h3-4H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.5334 kcal/mol

Physical Properties
Molecular Weight: 139.173 g/mol	logS: -1.72168	SlogP: 2.02474	Reactive groups: 0

Topological Properties
Globularity: 0.0332752	Sterimol/B1: 2.38368	Sterimol/B2: 2.51201	Sterimol/B3: 2.51785
Sterimol/B4: 5.85957	Sterimol/L: 9.53337

Surface and Volume Properties
Accessible surface: 324.042	Positive charged surface: 196.756	Negative charged surface: 127.286	Volume: 141.875
Hydrophobic surface: 272.63	Hydrophilic surface: 51.412

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.