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MMsINC code: MMs02938241

Type: Neutral
Formula: C₁₈H₂₁FN₂O₃

SMILES:

Fc1ccccc1C(=O)NCCNCc1cc(OC)ccc1OC

InChI:

InChI=1/C18H21FN2O3/c1-23-14-7-8-17(24-2)13(11-14)12-20-9-10-21-18(22)15-5-3-4-6-16(15)19/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.0967 kcal/mol

Physical Properties
Molecular Weight: 332.375 g/mol	logS: -3.46159	SlogP: 2.6289	Reactive groups: 0

Topological Properties
Globularity: 0.046778	Sterimol/B1: 2.47057	Sterimol/B2: 3.66912	Sterimol/B3: 4.42446
Sterimol/B4: 8.03683	Sterimol/L: 19.7699

Surface and Volume Properties
Accessible surface: 627.014	Positive charged surface: 443.616	Negative charged surface: 183.398	Volume: 319.5
Hydrophobic surface: 555.344	Hydrophilic surface: 71.67

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02938242
PUBCHEM-ZINC02851001