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MMsINC code: MMs01202342

Type: Neutral
Formula: C₁₉H₁₇ClFN₃O₃

SMILES:

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

InChI:

InChI=1/C19H17ClFN3O3/c1-2-9-22-17(25)11-23-16-6-4-3-5-13(16)18(26)24(19(23)27)12-7-8-15(21)14(20)10-12/h3-8,10H,2,9,11H2,1H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.0389 kcal/mol

Physical Properties
Molecular Weight: 389.814 g/mol	logS: -5.2806	SlogP: 3.5921	Reactive groups: 0

Topological Properties
Globularity: 0.0798477	Sterimol/B1: 2.86987	Sterimol/B2: 3.65833	Sterimol/B3: 4.95316
Sterimol/B4: 8.9069	Sterimol/L: 17.2993

Surface and Volume Properties
Accessible surface: 637.087	Positive charged surface: 340.118	Negative charged surface: 296.968	Volume: 338.625
Hydrophobic surface: 514.108	Hydrophilic surface: 122.979

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.