MMsINC Database Search


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MMsINC code: MMs03001754

Type: Neutral
Formula: C₁₈H₁₄FNO₂

SMILES:

Fc1c2c(cccc2)c(cc1)C(=O)Nc1cc(OC)ccc1

InChI:

InChI=1/C18H14FNO2/c1-22-13-6-4-5-12(11-13)20-18(21)16-9-10-17(19)15-8-3-2-7-14(15)16/h2-11H,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.801 kcal/mol

Physical Properties
Molecular Weight: 295.313 g/mol	logS: -5.57811	SlogP: 4.2398	Reactive groups: 0

Topological Properties
Globularity: 0.0262573	Sterimol/B1: 2.02782	Sterimol/B2: 3.19689	Sterimol/B3: 3.67091
Sterimol/B4: 6.65629	Sterimol/L: 15.3336

Surface and Volume Properties
Accessible surface: 522.421	Positive charged surface: 296.815	Negative charged surface: 214.787	Volume: 277.75
Hydrophobic surface: 483.646	Hydrophilic surface: 38.775

Pharmacophoric Properties
Hydrogen bond donors: 1	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.