MMsINC Database Search


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MMsINC code: MMs02295211

Type: Neutral
Formula: C₁₇H₁₃FO

SMILES:

Fc1ccccc1C(O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C17H13FO/c18-16-8-4-3-7-15(16)17(19)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17,19H/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.088 kcal/mol

Physical Properties
Molecular Weight: 252.288 g/mol	logS: -5.09666	SlogP: 4.1561	Reactive groups: 0

Topological Properties
Globularity: 0.123319	Sterimol/B1: 2.73348	Sterimol/B2: 4.20808	Sterimol/B3: 4.38601
Sterimol/B4: 4.75696	Sterimol/L: 13.5026

Surface and Volume Properties
Accessible surface: 466.584	Positive charged surface: 226.993	Negative charged surface: 228.52	Volume: 245.625
Hydrophobic surface: 429.139	Hydrophilic surface: 37.445

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.