MMsINC Database Search


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MMsINC code: MMs00631078

Type: Neutral
Formula: C₂₁H₁₆FNO₃

SMILES:

Fc1ccc(cc1)C(=O)COc1ccccc1C(=O)Nc1ccccc1

InChI:

InChI=1/C21H16FNO3/c22-16-12-10-15(11-13-16)19(24)14-26-20-9-5-4-8-18(20)21(25)23-17-6-2-1-3-7-17/h1-13H,14H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.192 kcal/mol

Physical Properties
Molecular Weight: 349.361 g/mol	logS: -5.79948	SlogP: 4.3397	Reactive groups: 0

Topological Properties
Globularity: 0.0111384	Sterimol/B1: 2.39911	Sterimol/B2: 2.68467	Sterimol/B3: 2.84207
Sterimol/B4: 9.5684	Sterimol/L: 18.2732

Surface and Volume Properties
Accessible surface: 605.776	Positive charged surface: 319.819	Negative charged surface: 285.957	Volume: 324.375
Hydrophobic surface: 541.451	Hydrophilic surface: 64.325

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.