MMsINC Database Search


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MMsINC code: MMs00734913

Type: Neutral
Formula: C₁₈H₁₅FN₂O₃

SMILES:

Fc1cc(NC(=O)CCCN2C(=O)c3c(cccc3)C2=O)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.0267 kcal/mol

Physical Properties
Molecular Weight: 326.327 g/mol	logS: -4.30983	SlogP: 2.8406	Reactive groups: 0

Topological Properties
Globularity: 0.0526213	Sterimol/B1: 3.09392	Sterimol/B2: 3.47472	Sterimol/B3: 5.119
Sterimol/B4: 5.1374	Sterimol/L: 18.3679

Surface and Volume Properties
Accessible surface: 579.317	Positive charged surface: 318.486	Negative charged surface: 260.831	Volume: 295.5
Hydrophobic surface: 460.621	Hydrophilic surface: 118.696

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.