MMsINC Database Search


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MMsINC code: MMs00110813

Type: Neutral
Formula: C₁₉H₁₄FNO

SMILES:

Fc1c2c(cccc2)c(cc1)C(=O)N1CCc2c1cccc2

InChI:

InChI=1/C19H14FNO/c20-17-10-9-16(14-6-2-3-7-15(14)17)19(22)21-12-11-13-5-1-4-8-18(13)21/h1-10H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.317 kcal/mol

Physical Properties
Molecular Weight: 291.325 g/mol	logS: -5.60561	SlogP: 4.18177	Reactive groups: 0

Topological Properties
Globularity: 0.0558054	Sterimol/B1: 2.93905	Sterimol/B2: 3.67303	Sterimol/B3: 3.9171
Sterimol/B4: 5.78728	Sterimol/L: 14.9566

Surface and Volume Properties
Accessible surface: 501.406	Positive charged surface: 270.066	Negative charged surface: 222.169	Volume: 276.375
Hydrophobic surface: 482.474	Hydrophilic surface: 18.932

Pharmacophoric Properties
Hydrogen bond donors: 0	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.