MMsINC Database Search


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MMsINC code: MMs01941846

Type: Neutral
Formula: C₁₉H₁₄FNO₂

SMILES:

Fc1ccc(cc1)-c1cc-2n(c1)CCc1c-2cc2OCOc2c1

InChI:

InChI=1/C19H14FNO2/c20-15-3-1-12(2-4-15)14-7-17-16-9-19-18(22-11-23-19)8-13(16)5-6-21(17)10-14/h1-4,7-10H,5-6,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3919 kcal/mol

Physical Properties
Molecular Weight: 307.324 g/mol	logS: -4.97762	SlogP: 4.51237	Reactive groups: 0

Topological Properties
Globularity: 0.0146557	Sterimol/B1: 2.82614	Sterimol/B2: 2.97628	Sterimol/B3: 3.07884
Sterimol/B4: 6.6856	Sterimol/L: 16.6854

Surface and Volume Properties
Accessible surface: 518.209	Positive charged surface: 301.837	Negative charged surface: 216.372	Volume: 284.5
Hydrophobic surface: 440.879	Hydrophilic surface: 77.33

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: 0

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Ions/Tautomers related molecules: no related molecules available.