MMsINC Database Search


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MMsINC code: MMs00754095

Type: Neutral
Formula: C₁₅H₁₄FNO₃

SMILES:

Fc1ccccc1OCCNC(=O)c1ccccc1O

InChI:

InChI=1/C15H14FNO3/c16-12-6-2-4-8-14(12)20-10-9-17-15(19)11-5-1-3-7-13(11)18/h1-8,18H,9-10H2,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.0705 kcal/mol

Physical Properties
Molecular Weight: 275.279 g/mol	logS: -3.30876	SlogP: 2.3401	Reactive groups: 0

Topological Properties
Globularity: 0.0463065	Sterimol/B1: 2.4336	Sterimol/B2: 2.51889	Sterimol/B3: 4.34983
Sterimol/B4: 6.5564	Sterimol/L: 16.021

Surface and Volume Properties
Accessible surface: 517.577	Positive charged surface: 300.684	Negative charged surface: 216.892	Volume: 254.125
Hydrophobic surface: 437.398	Hydrophilic surface: 80.179

Pharmacophoric Properties
Hydrogen bond donors: 2	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.