MMsINC Database Search


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MMsINC code: MMs00110382

Type: Neutral
Formula: C₁₅H₁₀FNO₂

SMILES:

Fc1cc2c(cc1)C(=O)N(C2=O)c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.1651 kcal/mol

Physical Properties
Molecular Weight: 255.248 g/mol	logS: -4.52749	SlogP: 2.93472	Reactive groups: 0

Topological Properties
Globularity: 0.00407248	Sterimol/B1: 2.10281	Sterimol/B2: 2.51218	Sterimol/B3: 3.98092
Sterimol/B4: 4.01446	Sterimol/L: 14.8988

Surface and Volume Properties
Accessible surface: 451.676	Positive charged surface: 221.258	Negative charged surface: 230.418	Volume: 230.25
Hydrophobic surface: 382.13	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.