MMsINC Database Search


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MMsINC code: MMs01628542

Type: Neutral
Formula: C₁₈H₁₄FNO

SMILES:

Fc1cc(C)c(NC(=O)c2cc3c(cc2)cccc3)cc1

InChI:

InChI=1/C18H14FNO/c1-12-10-16(19)8-9-17(12)20-18(21)15-7-6-13-4-2-3-5-14(13)11-15/h2-11H,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.2541 kcal/mol

Physical Properties
Molecular Weight: 279.314 g/mol	logS: -5.6882	SlogP: 4.53962	Reactive groups: 0

Topological Properties
Globularity: 0.0124746	Sterimol/B1: 2.07777	Sterimol/B2: 2.16598	Sterimol/B3: 3.03941
Sterimol/B4: 6.59582	Sterimol/L: 16.6193

Surface and Volume Properties
Accessible surface: 507.188	Positive charged surface: 255.67	Negative charged surface: 240.956	Volume: 268.625
Hydrophobic surface: 478.13	Hydrophilic surface: 29.058

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.