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MMsINC code: MMs00664188

Type: Neutral
Formula: C₁₉H₂₁ClFN₃O₂

SMILES:

Clc1cc(NC(=O)N2CCN(CC2)c2ccccc2OCC)ccc1F

InChI:

InChI=1/C19H21ClFN3O2/c1-2-26-18-6-4-3-5-17(18)23-9-11-24(12-10-23)19(25)22-14-7-8-16(21)15(20)13-14/h3-8,13H,2,9-12H2,1H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.592 kcal/mol

Physical Properties
Molecular Weight: 377.847 g/mol	logS: -4.59965	SlogP: 4.2319	Reactive groups: 0

Topological Properties
Globularity: 0.0642167	Sterimol/B1: 2.00107	Sterimol/B2: 3.65256	Sterimol/B3: 3.77228
Sterimol/B4: 8.56311	Sterimol/L: 18.0854

Surface and Volume Properties
Accessible surface: 642.287	Positive charged surface: 394.789	Negative charged surface: 247.498	Volume: 343.375
Hydrophobic surface: 573.877	Hydrophilic surface: 68.41

Pharmacophoric Properties
Hydrogen bond donors: 1	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.