MMsINC Database Search


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MMsINC code: MMs01233921

Type: Neutral
Formula: C₁₈H₁₅FN₂O₃

SMILES:

Fc1ccc(cc1)CNC(=O)CCN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C18H15FN2O3/c19-13-7-5-12(6-8-13)11-20-16(22)9-10-21-17(23)14-3-1-2-4-15(14)18(21)24/h1-8H,9-11H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.9823 kcal/mol

Physical Properties
Molecular Weight: 326.327 g/mol	logS: -4.0521	SlogP: 2.3946	Reactive groups: 0

Topological Properties
Globularity: 0.069165	Sterimol/B1: 2.74783	Sterimol/B2: 3.32086	Sterimol/B3: 4.6745
Sterimol/B4: 5.50708	Sterimol/L: 18.191

Surface and Volume Properties
Accessible surface: 582.701	Positive charged surface: 313.545	Negative charged surface: 269.157	Volume: 299
Hydrophobic surface: 455.1	Hydrophilic surface: 127.601

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.