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MMsINC code: MMs02715829

Type: Neutral
Formula: C₁₇H₁₆Cl₂FN₃O

SMILES:

Clc1cc(N2CCN(CC2)C(=O)Nc2ccccc2F)ccc1Cl

InChI:

InChI=1/C17H16Cl2FN3O/c18-13-6-5-12(11-14(13)19)22-7-9-23(10-8-22)17(24)21-16-4-2-1-3-15(16)20/h1-6,11H,7-10H2,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.908 kcal/mol

Physical Properties
Molecular Weight: 368.239 g/mol	logS: -4.95635	SlogP: 4.4866	Reactive groups: 0

Topological Properties
Globularity: 0.049079	Sterimol/B1: 3.05354	Sterimol/B2: 3.22702	Sterimol/B3: 4.72373
Sterimol/B4: 5.35191	Sterimol/L: 18.7036

Surface and Volume Properties
Accessible surface: 579.951	Positive charged surface: 295.017	Negative charged surface: 284.935	Volume: 316.75
Hydrophobic surface: 537.313	Hydrophilic surface: 42.638

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