MMsINC Database Search


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MMsINC code: MMs00591340

Type: Neutral
Formula: C₂₀H₁₅FN₂O₂

SMILES:

Fc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C20H15FN2O2/c21-15-10-12-16(13-11-15)22-20(25)17-8-4-5-9-18(17)23-19(24)14-6-2-1-3-7-14/h1-13H,(H,22,25)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.059 kcal/mol

Physical Properties
Molecular Weight: 334.35 g/mol	logS: -5.61984	SlogP: 4.3303	Reactive groups: 0

Topological Properties
Globularity: 0.0212449	Sterimol/B1: 2.57526	Sterimol/B2: 2.66306	Sterimol/B3: 3.04803
Sterimol/B4: 9.68942	Sterimol/L: 15.9928

Surface and Volume Properties
Accessible surface: 576.807	Positive charged surface: 297.655	Negative charged surface: 279.152	Volume: 309.625
Hydrophobic surface: 521.803	Hydrophilic surface: 55.004

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.