MMsINC Database Search


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MMsINC code: MMs02686612

Type: Neutral
Formula: C₁₅H₁₄FNO₂

SMILES:

Fc1ccccc1NC(=O)C(OC)c1ccccc1

InChI:

InChI=1/C15H14FNO2/c1-19-14(11-7-3-2-4-8-11)15(18)17-13-10-6-5-9-12(13)16/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)=85.1404 kcal/mol

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

Topological Properties
Globularity: 0.192216	Sterimol/B1: 2.23314	Sterimol/B2: 3.77085	Sterimol/B3: 4.18411
Sterimol/B4: 8.38814	Sterimol/L: 12.831

Surface and Volume Properties
Accessible surface: 490.051	Positive charged surface: 293.35	Negative charged surface: 196.701	Volume: 246.625
Hydrophobic surface: 462.808	Hydrophilic surface: 27.243

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.