MMsINC Database Search


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MMsINC code: MMs03522322

Type: Neutral
Formula: C₂₀H₁₅FO

SMILES:

Fc1cc2c(c3c(cc2)c(c2c(cccc2)c3CO)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.352 kcal/mol

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

Topological Properties
Globularity: 0.0295943	Sterimol/B1: 2.19657	Sterimol/B2: 2.543	Sterimol/B3: 3.10893
Sterimol/B4: 8.40308	Sterimol/L: 14.6088

Surface and Volume Properties
Accessible surface: 488.527	Positive charged surface: 251.062	Negative charged surface: 208.607	Volume: 281.125
Hydrophobic surface: 439.231	Hydrophilic surface: 49.296

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.