MMsINC Database Search


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MMsINC code: MMs02908146

Type: Neutral
Formula: C₁₈H₁₆FNO₂

SMILES:

Fc1cc(ccc1OC)COc1nc2c(cccc2)c(c1)C

InChI:

InChI=1/C18H16FNO2/c1-12-9-18(20-16-6-4-3-5-14(12)16)22-11-13-7-8-17(21-2)15(19)10-13/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8731 kcal/mol

Physical Properties
Molecular Weight: 297.329 g/mol	logS: -4.92224	SlogP: 4.53632	Reactive groups: 0

Topological Properties
Globularity: 0.0459871	Sterimol/B1: 2.29273	Sterimol/B2: 3.34774	Sterimol/B3: 4.29033
Sterimol/B4: 7.49506	Sterimol/L: 18.0728

Surface and Volume Properties
Accessible surface: 554.339	Positive charged surface: 340.449	Negative charged surface: 208.58	Volume: 284.75
Hydrophobic surface: 513.56	Hydrophilic surface: 40.779

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.