MMsINC Database Search


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MMsINC code: MMs02133450

Type: Neutral
Formula: C₁₅H₁₅FO

SMILES:

Fc1ccccc1-c1ccc(cc1)C(O)CC

InChI:

InChI=1/C15H15FO/c1-2-15(17)12-9-7-11(8-10-12)13-5-3-4-6-14(13)16/h3-10,15,17H,2H2,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.7364 kcal/mol

Physical Properties
Molecular Weight: 230.282 g/mol	logS: -4.40624	SlogP: 4.0316	Reactive groups: 0

Topological Properties
Globularity: 0.0532413	Sterimol/B1: 2.48467	Sterimol/B2: 3.54336	Sterimol/B3: 3.76683
Sterimol/B4: 4.11549	Sterimol/L: 15.1835

Surface and Volume Properties
Accessible surface: 454.807	Positive charged surface: 259.054	Negative charged surface: 191.156	Volume: 233.5
Hydrophobic surface: 395.578	Hydrophilic surface: 59.229

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.