MMsINC Database Search


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MMsINC code: MMs00056812

Type: Neutral
Formula: C₁₄H₁₀FNO

SMILES:

Fc1ccc(cc1)\C=C\C(=O)c1cccnc1

InChI:

InChI=1/C14H10FNO/c15-13-6-3-11(4-7-13)5-8-14(17)12-2-1-9-16-10-12/h1-10H/b8-5+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5288 kcal/mol

Physical Properties
Molecular Weight: 227.238 g/mol	logS: -3.00035	SlogP: 3.1168	Reactive groups: 1

Topological Properties
Globularity: 3.84668e-07	Sterimol/B1: 2.09764	Sterimol/B2: 2.10191	Sterimol/B3: 3.90221
Sterimol/B4: 4.29283	Sterimol/L: 14.9833

Surface and Volume Properties
Accessible surface: 442.629	Positive charged surface: 232.688	Negative charged surface: 209.94	Volume: 217.5
Hydrophobic surface: 392.538	Hydrophilic surface: 50.091

Pharmacophoric Properties
Hydrogen bond donors: 0	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.