MMsINC Database Search


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MMsINC code: MMs02293077

Type: Neutral
Formula: C₂₀H₁₅FO

SMILES:

Fc1cc(ccc1)C(=O)c1ccccc1Cc1ccccc1

InChI:

InChI=1/C20H15FO/c21-18-11-6-10-17(14-18)20(22)19-12-5-4-9-16(19)13-15-7-2-1-3-8-15/h1-12,14H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.5603 kcal/mol

Physical Properties
Molecular Weight: 290.337 g/mol	logS: -5.86905	SlogP: 4.64747	Reactive groups: 0

Topological Properties
Globularity: 0.19922	Sterimol/B1: 2.54826	Sterimol/B2: 3.66458	Sterimol/B3: 4.17601
Sterimol/B4: 8.37679	Sterimol/L: 13.4699

Surface and Volume Properties
Accessible surface: 515.382	Positive charged surface: 263.335	Negative charged surface: 252.046	Volume: 286.25
Hydrophobic surface: 495.119	Hydrophilic surface: 20.263

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.