MMsINC Database Search


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MMsINC code: MMs00770941

Type: Neutral
Formula: C₁₄H₁₃FN₂O₂

SMILES:

Fc1ccccc1NC(=O)Nc1cc(OC)ccc1

InChI:

InChI=1/C14H13FN2O2/c1-19-11-6-4-5-10(9-11)16-14(18)17-13-8-3-2-7-12(13)15/h2-9H,1H3,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4575 kcal/mol

Physical Properties
Molecular Weight: 260.268 g/mol	logS: -3.59741	SlogP: 3.4783	Reactive groups: 0

Topological Properties
Globularity: 0.0336659	Sterimol/B1: 2.2663	Sterimol/B2: 3.6686	Sterimol/B3: 3.85906
Sterimol/B4: 4.01831	Sterimol/L: 16.5139

Surface and Volume Properties
Accessible surface: 484.379	Positive charged surface: 299.55	Negative charged surface: 184.829	Volume: 238.25
Hydrophobic surface: 417.164	Hydrophilic surface: 67.215

Pharmacophoric Properties
Hydrogen bond donors: 2	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.