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MMsINC code: MMs01050201

Type: Neutral
Formula: C₁₇H₂₀FN₃O₃

SMILES:

Fc1ccccc1-c1noc(c1)C(=O)NCCCN1CCOCC1

InChI:

InChI=1/C17H20FN3O3/c18-14-5-2-1-4-13(14)15-12-16(24-20-15)17(22)19-6-3-7-21-8-10-23-11-9-21/h1-2,4-5,12H,3,6-11H2,(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.1569 kcal/mol

Physical Properties
Molecular Weight: 333.363 g/mol	logS: -3.41158	SlogP: 1.9328	Reactive groups: 0

Topological Properties
Globularity: 0.01403	Sterimol/B1: 3.0322	Sterimol/B2: 3.17686	Sterimol/B3: 3.32532
Sterimol/B4: 4.97997	Sterimol/L: 21.0735

Surface and Volume Properties
Accessible surface: 605.245	Positive charged surface: 411.862	Negative charged surface: 193.383	Volume: 307.5
Hydrophobic surface: 509.804	Hydrophilic surface: 95.441

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs01050202
CHEMDIV-ZINC06872834