MMsINC Database Search


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MMsINC code: MMs03070113

Type: Neutral
Formula: C₁₉H₁₉ClFNO₂

SMILES:

Clc1ccccc1C(N1CCCCC1C(O)=O)c1cc(F)ccc1

InChI:

InChI=1/C19H19ClFNO2/c20-16-9-2-1-8-15(16)18(13-6-5-7-14(21)12-13)22-11-4-3-10-17(22)19(23)24/h1-2,5-9,12,17-18H,3-4,10-11H2,(H,23,24)/t17-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.055 kcal/mol

Physical Properties
Molecular Weight: 347.817 g/mol	logS: -4.80349	SlogP: 4.6031	Reactive groups: 0

Topological Properties
Globularity: 0.410656	Sterimol/B1: 3.35712	Sterimol/B2: 4.19307	Sterimol/B3: 4.85286
Sterimol/B4: 7.80454	Sterimol/L: 11.9952

Surface and Volume Properties
Accessible surface: 526.911	Positive charged surface: 294.582	Negative charged surface: 232.329	Volume: 312.75
Hydrophobic surface: 457.075	Hydrophilic surface: 69.836

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.