MMsINC Database Search


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MMsINC code: MMs03137573

Type: Neutral
Formula: C₁₅H₁₁FO₂

SMILES:

Fc1cc(ccc1)\C=C\C(=O)c1ccccc1O

InChI:

InChI=1/C15H11FO2/c16-12-5-3-4-11(10-12)8-9-15(18)13-6-1-2-7-14(13)17/h1-10,17H/b9-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.2881 kcal/mol

Physical Properties
Molecular Weight: 242.249 g/mol	logS: -3.89654	SlogP: 3.4274	Reactive groups: 1

Topological Properties
Globularity: 0.00165452	Sterimol/B1: 2.14962	Sterimol/B2: 2.18722	Sterimol/B3: 2.5629
Sterimol/B4: 5.90533	Sterimol/L: 14.7535

Surface and Volume Properties
Accessible surface: 461.213	Positive charged surface: 219.16	Negative charged surface: 242.053	Volume: 229.25
Hydrophobic surface: 389.886	Hydrophilic surface: 71.327

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.