MMsINC Database Search


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MMsINC code: MMs02313023

Type: Neutral
Formula: C₁₅H₁₂FNO

SMILES:

Fc1c-2c(Cc3cc(NC(=O)C)ccc-23)ccc1

InChI:

InChI=1/C15H12FNO/c1-9(18)17-12-5-6-13-11(8-12)7-10-3-2-4-14(16)15(10)13/h2-6,8H,7H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.7637 kcal/mol

Physical Properties
Molecular Weight: 241.265 g/mol	logS: -4.78657	SlogP: 3.35527	Reactive groups: 0

Topological Properties
Globularity: 0.013957	Sterimol/B1: 2.37975	Sterimol/B2: 2.64942	Sterimol/B3: 3.95307
Sterimol/B4: 4.2559	Sterimol/L: 15.2747

Surface and Volume Properties
Accessible surface: 453.939	Positive charged surface: 257.272	Negative charged surface: 185.174	Volume: 226.375
Hydrophobic surface: 402.199	Hydrophilic surface: 51.74

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.