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MMsINC code: MMs00956422

Type: Neutral
Formula: C₂₁H₂₆ClFN₄O

SMILES:

Clc1cc(N2CCN(CC2)CCCNC(=O)Nc2ccc(F)cc2)c(cc1)C

InChI:

InChI=1/C21H26ClFN4O/c1-16-3-4-17(22)15-20(16)27-13-11-26(12-14-27)10-2-9-24-21(28)25-19-7-5-18(23)6-8-19/h3-8,15H,2,9-14H2,1H3,(H2,24,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.873 kcal/mol

Physical Properties
Molecular Weight: 404.917 g/mol	logS: -4.58818	SlogP: 4.12132	Reactive groups: 0

Topological Properties
Globularity: 0.0381847	Sterimol/B1: 2.33139	Sterimol/B2: 3.01156	Sterimol/B3: 5.57517
Sterimol/B4: 6.76241	Sterimol/L: 22.8166

Surface and Volume Properties
Accessible surface: 706.949	Positive charged surface: 443.371	Negative charged surface: 263.577	Volume: 384
Hydrophobic surface: 630.527	Hydrophilic surface: 76.422

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

MMs00956423
CHEMDIV-ZINC04791867