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MMsINC code: MMs03396312

Type: Neutral
Formula: C₁₁H₁₅ClFN

SMILES:

Clc1cccc(F)c1CNC(C)(C)C

InChI:

InChI=1/C11H15ClFN/c1-11(2,3)14-7-8-9(12)5-4-6-10(8)13/h4-6,14H,7H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.4331 kcal/mol

Physical Properties
Molecular Weight: 215.699 g/mol	logS: -3.13628	SlogP: 3.6336	Reactive groups: 0

Topological Properties
Globularity: 0.116777	Sterimol/B1: 2.46834	Sterimol/B2: 2.60112	Sterimol/B3: 4.16633
Sterimol/B4: 6.00573	Sterimol/L: 12.288

Surface and Volume Properties
Accessible surface: 415.423	Positive charged surface: 224.251	Negative charged surface: 191.173	Volume: 207.875
Hydrophobic surface: 345.972	Hydrophilic surface: 69.451

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03396313
PUBCHEM-ZINC05817167