MMsINC Database Search


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MMsINC code: MMs01263263

Type: Neutral
Formula: C₁₅H₁₄FNO₂

SMILES:

Fc1ccccc1CNC(=O)c1cc(OC)ccc1

InChI:

InChI=1/C15H14FNO2/c1-19-13-7-4-6-11(9-13)15(18)17-10-12-5-2-3-8-14(12)16/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)=49.9066 kcal/mol

Physical Properties
Molecular Weight: 259.28 g/mol	logS: -3.64427	SlogP: 3.0307	Reactive groups: 0

Topological Properties
Globularity: 0.0471966	Sterimol/B1: 3.52928	Sterimol/B2: 3.82897	Sterimol/B3: 4.19222
Sterimol/B4: 4.24124	Sterimol/L: 16.5949

Surface and Volume Properties
Accessible surface: 494.655	Positive charged surface: 297.091	Negative charged surface: 197.563	Volume: 248
Hydrophobic surface: 439.634	Hydrophilic surface: 55.021

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.