MMsINC Database Search


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MMsINC code: MMs00612799

Type: Neutral
Formula: C₂₀H₁₆FNO

SMILES:

Fc1ccc(cc1)C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H16FNO/c21-18-13-11-17(12-14-18)20(23)22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4899 kcal/mol

Physical Properties
Molecular Weight: 305.352 g/mol	logS: -5.36179	SlogP: 4.4406	Reactive groups: 0

Topological Properties
Globularity: 0.174526	Sterimol/B1: 2.38633	Sterimol/B2: 3.23364	Sterimol/B3: 4.8927
Sterimol/B4: 9.09207	Sterimol/L: 14.1132

Surface and Volume Properties
Accessible surface: 555.272	Positive charged surface: 273.426	Negative charged surface: 281.846	Volume: 301.125
Hydrophobic surface: 525.785	Hydrophilic surface: 29.487

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.