MMsINC Database Search


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MMsINC code: MMs01628760

Type: Neutral
Formula: C₁₄H₁₁F₂NO

SMILES:

Fc1ccccc1CNC(=O)c1ccc(F)cc1

InChI:

InChI=1/C14H11F2NO/c15-12-7-5-10(6-8-12)14(18)17-9-11-3-1-2-4-13(11)16/h1-8H,9H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.4883 kcal/mol

Physical Properties
Molecular Weight: 247.244 g/mol	logS: -3.88887	SlogP: 3.1612	Reactive groups: 0

Topological Properties
Globularity: 0.0728243	Sterimol/B1: 2.41909	Sterimol/B2: 4.00431	Sterimol/B3: 4.48515
Sterimol/B4: 5.05217	Sterimol/L: 14.3484

Surface and Volume Properties
Accessible surface: 462.516	Positive charged surface: 225.756	Negative charged surface: 236.76	Volume: 223.75
Hydrophobic surface: 416.884	Hydrophilic surface: 45.632

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.