MMsINC Database Search


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MMsINC code: MMs00345827

Type: Neutral
Formula: C₁₀H₁₅FN₂

SMILES:

Fc1ccccc1C(N(C)C)CN

InChI:

InChI=1/C10H15FN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,7,12H2,1-2H3/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3909 kcal/mol

Physical Properties
Molecular Weight: 182.242 g/mol	logS: -1.24267	SlogP: 1.4826	Reactive groups: 0

Topological Properties
Globularity: 0.244485	Sterimol/B1: 2.22361	Sterimol/B2: 3.9658	Sterimol/B3: 4.23378
Sterimol/B4: 4.84125	Sterimol/L: 10.8546

Surface and Volume Properties
Accessible surface: 370.829	Positive charged surface: 274.741	Negative charged surface: 96.0884	Volume: 186
Hydrophobic surface: 310.807	Hydrophilic surface: 60.022

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00345829
ASINEX-ZINC04511162