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MMsINC code: MMs01124817

Type: Neutral
Formula: C₂₁H₂₅FN₂O₃

SMILES:

Fc1ccc(cc1)CN(C(=O)c1ccoc1)CCC(=O)NC1CCCCC1

InChI:

InChI=1/C21H25FN2O3/c22-18-8-6-16(7-9-18)14-24(21(26)17-11-13-27-15-17)12-10-20(25)23-19-4-2-1-3-5-19/h6-9,11,13,15,19H,1-5,10,12,14H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.4816 kcal/mol

Physical Properties
Molecular Weight: 372.44 g/mol	logS: -4.61218	SlogP: 4.1665	Reactive groups: 0

Topological Properties
Globularity: 0.0585018	Sterimol/B1: 3.29635	Sterimol/B2: 3.88564	Sterimol/B3: 4.56895
Sterimol/B4: 7.90313	Sterimol/L: 17.7041

Surface and Volume Properties
Accessible surface: 641.469	Positive charged surface: 382.009	Negative charged surface: 259.46	Volume: 358.5
Hydrophobic surface: 563.614	Hydrophilic surface: 77.855

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.