MMsINC Database Search


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MMsINC code: MMs01067518

Type: Neutral
Formula: C₁₉H₁₆FNO

SMILES:

Fc1cc(ccc1)CCNC(=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H16FNO/c20-18-7-3-4-14(12-18)10-11-21-19(22)17-9-8-15-5-1-2-6-16(15)13-17/h1-9,12-13H,10-11H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6163 kcal/mol

Physical Properties
Molecular Weight: 293.341 g/mol	logS: -5.53324	SlogP: 3.95137	Reactive groups: 0

Topological Properties
Globularity: 0.0332453	Sterimol/B1: 3.65462	Sterimol/B2: 3.82654	Sterimol/B3: 3.89419
Sterimol/B4: 4.40146	Sterimol/L: 18.7729

Surface and Volume Properties
Accessible surface: 554.556	Positive charged surface: 287.014	Negative charged surface: 256.471	Volume: 287.625
Hydrophobic surface: 511.862	Hydrophilic surface: 42.694

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.