MMsINC Database Search


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MMsINC code: MMs02130338

Type: Neutral
Formula: C₁₀H₇F₂NO

SMILES:

Fc1cc(F)cc2c1nc(cc2O)C

InChI:

InChI=1/C10H7F2NO/c1-5-2-9(14)7-3-6(11)4-8(12)10(7)13-5/h2-4H,1H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.4042 kcal/mol

Physical Properties
Molecular Weight: 195.168 g/mol	logS: -2.51482	SlogP: 2.52702	Reactive groups: 0

Topological Properties
Globularity: 0.0173709	Sterimol/B1: 2.14431	Sterimol/B2: 2.50419	Sterimol/B3: 3.68862
Sterimol/B4: 5.48626	Sterimol/L: 11.241

Surface and Volume Properties
Accessible surface: 362.519	Positive charged surface: 186.532	Negative charged surface: 170.395	Volume: 164.75
Hydrophobic surface: 301.28	Hydrophilic surface: 61.239

Pharmacophoric Properties
Hydrogen bond donors: 1	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.