MMsINC Database Search


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MMsINC code: MMs03540558

Type: Neutral
Formula: C₂₀H₁₁FO

SMILES:

Fc1cc2c(c3c4c5c(ccc4c2)c(O)ccc5cc3)cc1

InChI:

InChI=1/C20H11FO/c21-14-4-7-15-13(10-14)9-12-2-6-17-18(22)8-3-11-1-5-16(15)20(12)19(11)17/h1-10,22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.7857 kcal/mol

Physical Properties
Molecular Weight: 286.305 g/mol	logS: -8.28093	SlogP: 5.5819	Reactive groups: 0

Topological Properties
Globularity: 0.00196078	Sterimol/B1: 2.14987	Sterimol/B2: 2.17342	Sterimol/B3: 2.52912
Sterimol/B4: 7.66694	Sterimol/L: 14.4186

Surface and Volume Properties
Accessible surface: 471.912	Positive charged surface: 207.536	Negative charged surface: 220.091	Volume: 265
Hydrophobic surface: 426.971	Hydrophilic surface: 44.941

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: 0

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Ions/Tautomers related molecules: no related molecules available.