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MMsINC code: MMs00395010

Type: Neutral
Formula: C₁₉H₁₉ClFN₃O₂

SMILES:

Clc1cc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)ccc1

InChI:

InChI=1/C19H19ClFN3O2/c20-14-2-1-3-17(12-14)23-19(26)24-10-8-16(9-11-24)22-18(25)13-4-6-15(21)7-5-13/h1-7,12,16H,8-11H2,(H,22,25)(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.9573 kcal/mol

Physical Properties
Molecular Weight: 375.831 g/mol	logS: -4.84432	SlogP: 3.9054	Reactive groups: 0

Topological Properties
Globularity: 0.0641172	Sterimol/B1: 2.48307	Sterimol/B2: 3.89597	Sterimol/B3: 4.55777
Sterimol/B4: 6.33098	Sterimol/L: 19.6816

Surface and Volume Properties
Accessible surface: 625.373	Positive charged surface: 338.164	Negative charged surface: 287.209	Volume: 335.875
Hydrophobic surface: 557.957	Hydrophilic surface: 67.416

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.