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MMsINC code: MMs01207902

Type: Neutral
Formula: C₂₀H₁₉ClFN₃O₃

SMILES:

Clc1cc(N2C(=O)c3c(N(CC(=O)NCC(C)C)C2=O)cccc3)ccc1F

InChI:

InChI=1/C20H19ClFN3O3/c1-12(2)10-23-18(26)11-24-17-6-4-3-5-14(17)19(27)25(20(24)28)13-7-8-16(22)15(21)9-13/h3-9,12H,10-11H2,1-2H3,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2378 kcal/mol

Physical Properties
Molecular Weight: 403.841 g/mol	logS: -5.48237	SlogP: 3.8381	Reactive groups: 0

Topological Properties
Globularity: 0.0795399	Sterimol/B1: 2.61136	Sterimol/B2: 4.93658	Sterimol/B3: 5.31518
Sterimol/B4: 8.06863	Sterimol/L: 17.1466

Surface and Volume Properties
Accessible surface: 649.588	Positive charged surface: 348.878	Negative charged surface: 300.709	Volume: 356.75
Hydrophobic surface: 516.631	Hydrophilic surface: 132.957

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.