MMsINC Database Search


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MMsINC code: MMs00109241

Type: Neutral
Formula: C₂₀H₁₇FN₂O

SMILES:

Fc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1

InChI:

InChI=1/C20H17FN2O/c21-17-11-13-18(14-12-17)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9809 kcal/mol

Physical Properties
Molecular Weight: 320.367 g/mol	logS: -5.25897	SlogP: 4.8323	Reactive groups: 0

Topological Properties
Globularity: 0.118262	Sterimol/B1: 2.12701	Sterimol/B2: 3.82959	Sterimol/B3: 4.32873
Sterimol/B4: 8.98316	Sterimol/L: 15.8556

Surface and Volume Properties
Accessible surface: 581.825	Positive charged surface: 302.652	Negative charged surface: 279.173	Volume: 313.5
Hydrophobic surface: 535.966	Hydrophilic surface: 45.859

Pharmacophoric Properties
Hydrogen bond donors: 2	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.