MMsINC Database Search


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MMsINC code: MMs02413968

Type: Neutral
Formula: C₁₉H₁₅FO

SMILES:

Fc1ccc(cc1)C(O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H15FO/c20-18-13-11-17(12-14-18)19(21,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.536 kcal/mol

Physical Properties
Molecular Weight: 278.326 g/mol	logS: -4.98668	SlogP: 4.4214	Reactive groups: 0

Topological Properties
Globularity: 0.403717	Sterimol/B1: 3.49273	Sterimol/B2: 4.5215	Sterimol/B3: 4.61707
Sterimol/B4: 7.10444	Sterimol/L: 11.7547

Surface and Volume Properties
Accessible surface: 496.616	Positive charged surface: 254.2	Negative charged surface: 242.415	Volume: 272.5
Hydrophobic surface: 476.045	Hydrophilic surface: 20.571

Pharmacophoric Properties
Hydrogen bond donors: 1	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.