MMsINC Database Search


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MMsINC code: MMs00488386

Type: Neutral
Formula: C₁₅H₁₀FNO₂

SMILES:

Fc1cc(N2C(=O)c3c(cccc3)C2=O)ccc1C

InChI:

InChI=1/C15H10FNO2/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15(17)19/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5701 kcal/mol

Physical Properties
Molecular Weight: 255.248 g/mol	logS: -4.21404	SlogP: 2.93472	Reactive groups: 0

Topological Properties
Globularity: 0.00409036	Sterimol/B1: 2.10331	Sterimol/B2: 2.51232	Sterimol/B3: 3.97359
Sterimol/B4: 4.02178	Sterimol/L: 14.652

Surface and Volume Properties
Accessible surface: 451.293	Positive charged surface: 224.556	Negative charged surface: 226.737	Volume: 229
Hydrophobic surface: 381.747	Hydrophilic surface: 69.546

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.