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MMsINC code: MMs01897370

Type: Neutral
Formula: C₂₁H₂₀FNO₃

SMILES:

Fc1ccccc1C1N(CCCC)C(=O)C(=O)C1C(=O)c1ccccc1

InChI:

InChI=1/C21H20FNO3/c1-2-3-13-23-18(15-11-7-8-12-16(15)22)17(20(25)21(23)26)19(24)14-9-5-4-6-10-14/h4-12,17-18H,2-3,13H2,1H3/t17-,18+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9618 kcal/mol

Physical Properties
Molecular Weight: 353.393 g/mol	logS: -5.10012	SlogP: 3.6728	Reactive groups: 0

Topological Properties
Globularity: 0.133155	Sterimol/B1: 2.36184	Sterimol/B2: 3.0776	Sterimol/B3: 5.62507
Sterimol/B4: 9.49696	Sterimol/L: 16.4941

Surface and Volume Properties
Accessible surface: 606.878	Positive charged surface: 325.757	Negative charged surface: 281.121	Volume: 336.875
Hydrophobic surface: 490.373	Hydrophilic surface: 116.505

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs01897373
IBS-ZINC04813356