MMsINC Database Search


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MMsINC code: MMs00919703

Type: Neutral
Formula: C₁₄H₁₅FN₂O₂

SMILES:

Fc1ccc(cc1)-c1onc(c1)C(=O)N(CC)CC

InChI:

InChI=1/C14H15FN2O2/c1-3-17(4-2)14(18)12-9-13(19-16-12)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.432 kcal/mol

Physical Properties
Molecular Weight: 262.284 g/mol	logS: -3.56887	SlogP: 2.9627	Reactive groups: 0

Topological Properties
Globularity: 0.0354195	Sterimol/B1: 2.17844	Sterimol/B2: 2.5797	Sterimol/B3: 3.97479
Sterimol/B4: 5.90533	Sterimol/L: 16.0999

Surface and Volume Properties
Accessible surface: 488.946	Positive charged surface: 284.407	Negative charged surface: 204.54	Volume: 248.375
Hydrophobic surface: 403.22	Hydrophilic surface: 85.726

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.