MMsINC Database Search


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MMsINC code: MMs00622571

Type: Neutral
Formula: C₁₅H₁₄FNO₂

SMILES:

Fc1cc(NC(=O)C(OC)c2ccccc2)ccc1

InChI:

InChI=1/C15H14FNO2/c1-19-14(11-6-3-2-4-7-11)15(18)17-13-9-5-8-12(16)10-13/h2-10,14H,1H3,(H,17,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.4405 kcal/mol

Physical Properties
Molecular Weight: 259.28 g/mol	logS: -3.79249	SlogP: 3.2474	Reactive groups: 0

Topological Properties
Globularity: 0.194504	Sterimol/B1: 2.19458	Sterimol/B2: 3.80558	Sterimol/B3: 4.21907
Sterimol/B4: 8.41576	Sterimol/L: 12.8494

Surface and Volume Properties
Accessible surface: 493.739	Positive charged surface: 290.284	Negative charged surface: 203.455	Volume: 247.875
Hydrophobic surface: 463.637	Hydrophilic surface: 30.102

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.