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MMsINC code: MMs00403346

Type: Neutral
Formula: C₂₂H₂₆FN₃O₂

SMILES:

Fc1ccc(cc1)CNC(=O)CN1CCC(NC(=O)c2ccccc2C)CC1

InChI:

InChI=1/C22H26FN3O2/c1-16-4-2-3-5-20(16)22(28)25-19-10-12-26(13-11-19)15-21(27)24-14-17-6-8-18(23)9-7-17/h2-9,19H,10-15H2,1H3,(H,24,27)(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7991 kcal/mol

Physical Properties
Molecular Weight: 383.467 g/mol	logS: -4.69065	SlogP: 2.91112	Reactive groups: 0

Topological Properties
Globularity: 0.0375525	Sterimol/B1: 2.18343	Sterimol/B2: 3.44355	Sterimol/B3: 4.11693
Sterimol/B4: 6.30042	Sterimol/L: 22.7403

Surface and Volume Properties
Accessible surface: 684.858	Positive charged surface: 447.302	Negative charged surface: 237.556	Volume: 375.25
Hydrophobic surface: 616.872	Hydrophilic surface: 67.986

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00403347
ASINEX-ZINC04910119