MMsINC Database Search


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MMsINC code: MMs03522332

Type: Neutral
Formula: C₂₀H₁₅FO

SMILES:

Fc1c2c(c3c(cc2)c(c2c(cccc2)c3CO)C)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.517 kcal/mol

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

Topological Properties
Globularity: 0.031662	Sterimol/B1: 2.19645	Sterimol/B2: 2.54398	Sterimol/B3: 3.12255
Sterimol/B4: 8.41466	Sterimol/L: 14.3239

Surface and Volume Properties
Accessible surface: 486.534	Positive charged surface: 254.198	Negative charged surface: 203.465	Volume: 277.125
Hydrophobic surface: 436.919	Hydrophilic surface: 49.615

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.