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MMsINC code: MMs01268470

Type: Neutral
Formula: C₁₉H₂₃ClFNO₃

SMILES:

Clc1cccc(F)c1CC(OC(C(=O)NCCC=1CCCCC=1)C)=O

InChI:

InChI=1/C19H23ClFNO3/c1-13(19(24)22-11-10-14-6-3-2-4-7-14)25-18(23)12-15-16(20)8-5-9-17(15)21/h5-6,8-9,13H,2-4,7,10-12H2,1H3,(H,22,24)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.7871 kcal/mol

Physical Properties
Molecular Weight: 367.848 g/mol	logS: -5.32448	SlogP: 3.95997	Reactive groups: 1

Topological Properties
Globularity: 0.0300412	Sterimol/B1: 2.00976	Sterimol/B2: 2.99618	Sterimol/B3: 3.91564
Sterimol/B4: 7.41306	Sterimol/L: 20.5277

Surface and Volume Properties
Accessible surface: 655.342	Positive charged surface: 398.06	Negative charged surface: 257.282	Volume: 344.625
Hydrophobic surface: 553.636	Hydrophilic surface: 101.706

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: no related molecules available.