MMsINC Database Search


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MMsINC code: MMs03522282

Type: Neutral
Formula: C₂₀H₁₅FO

SMILES:

Fc1c2c(c3c(c1)cccc3)c(c1c(cccc1)c2C)CO

InChI:

InChI=1/C20H15FO/c1-12-14-7-4-5-9-16(14)17(11-22)20-15-8-3-2-6-13(15)10-18(21)19(12)20/h2-10,22H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.033 kcal/mol

Physical Properties
Molecular Weight: 290.337 g/mol	logS: -7.55844	SlogP: 5.35242	Reactive groups: 0

Topological Properties
Globularity: 0.0373188	Sterimol/B1: 2.27257	Sterimol/B2: 2.53593	Sterimol/B3: 3.26923
Sterimol/B4: 8.3757	Sterimol/L: 14.2838

Surface and Volume Properties
Accessible surface: 482.138	Positive charged surface: 257.825	Negative charged surface: 197.494	Volume: 279.5
Hydrophobic surface: 433.043	Hydrophilic surface: 49.095

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.