MMsINC Database Search


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MMsINC code: MMs00680523

Type: Neutral
Formula: C₁₄H₁₁FINO

SMILES:

Ic1ccccc1C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C14H11FINO/c15-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)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)=59.3944 kcal/mol

Physical Properties
Molecular Weight: 355.15 g/mol	logS: -4.58541	SlogP: 3.6267	Reactive groups: 0

Topological Properties
Globularity: 0.0728653	Sterimol/B1: 2.55938	Sterimol/B2: 3.61898	Sterimol/B3: 3.61924
Sterimol/B4: 7.19996	Sterimol/L: 14.6027

Surface and Volume Properties
Accessible surface: 496.14	Positive charged surface: 220.277	Negative charged surface: 275.863	Volume: 252.125
Hydrophobic surface: 465.749	Hydrophilic surface: 30.391

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.