MMsINC Database Search


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MMsINC code: MMs00079679

Type: Neutral
Formula: C₁₅H₁₄FNO₂

SMILES:

Fc1ccc(NC(=O)COc2cc(ccc2)C)cc1

InChI:

InChI=1/C15H14FNO2/c1-11-3-2-4-14(9-11)19-10-15(18)17-13-7-5-12(16)6-8-13/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5702 kcal/mol

Physical Properties
Molecular Weight: 259.28 g/mol	logS: -4.20059	SlogP: 3.15162	Reactive groups: 0

Topological Properties
Globularity: 0.0140474	Sterimol/B1: 2.36196	Sterimol/B2: 2.48519	Sterimol/B3: 2.95581
Sterimol/B4: 5.81857	Sterimol/L: 17.0595

Surface and Volume Properties
Accessible surface: 505.838	Positive charged surface: 281.393	Negative charged surface: 224.445	Volume: 247.375
Hydrophobic surface: 450.601	Hydrophilic surface: 55.237

Pharmacophoric Properties
Hydrogen bond donors: 1	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.