MMsINC Database Search


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MMsINC code: MMs00106462

Type: Neutral
Formula: C₁₉H₁₈FNO₂

SMILES:

Fc1ccc(N2C(=O)C(CC2=O)Cc2cc(cc(c2)C)C)cc1

InChI:

InChI=1/C19H18FNO2/c1-12-7-13(2)9-14(8-12)10-15-11-18(22)21(19(15)23)17-5-3-16(20)4-6-17/h3-9,15H,10-11H2,1-2H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8501 kcal/mol

Physical Properties
Molecular Weight: 311.356 g/mol	logS: -4.72772	SlogP: 3.56471	Reactive groups: 0

Topological Properties
Globularity: 0.0995954	Sterimol/B1: 2.10921	Sterimol/B2: 2.57061	Sterimol/B3: 4.83295
Sterimol/B4: 8.47021	Sterimol/L: 15.5025

Surface and Volume Properties
Accessible surface: 559.35	Positive charged surface: 315.966	Negative charged surface: 243.384	Volume: 301.125
Hydrophobic surface: 506.481	Hydrophilic surface: 52.869

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.