MMsINC Database Search


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MMsINC code: MMs01180886

Type: Neutral
Formula: C₁₈H₂₁FN₂O₄

SMILES:

Fc1ccc(NC(=O)CCN(C(=O)c2ccoc2C)CCOC)cc1

InChI:

InChI=1/C18H21FN2O4/c1-13-16(8-11-25-13)18(23)21(10-12-24-2)9-7-17(22)20-15-5-3-14(19)4-6-15/h3-6,8,11H,7,9-10,12H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8179 kcal/mol

Physical Properties
Molecular Weight: 348.374 g/mol	logS: -3.65303	SlogP: 2.84452	Reactive groups: 0

Topological Properties
Globularity: 0.102095	Sterimol/B1: 2.05903	Sterimol/B2: 3.60968	Sterimol/B3: 5.83476
Sterimol/B4: 6.9619	Sterimol/L: 17.3715

Surface and Volume Properties
Accessible surface: 625.73	Positive charged surface: 386.606	Negative charged surface: 239.124	Volume: 327.625
Hydrophobic surface: 548.463	Hydrophilic surface: 77.267

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.