MMsINC Database Search


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MMsINC code: MMs02687521

Type: Neutral
Formula: C₂₀H₁₅FN₂O₂

SMILES:

Fc1cc(NC(=O)c2cc(NC(=O)c3ccccc3)ccc2)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.1998 kcal/mol

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

Topological Properties
Globularity: 0.0211288	Sterimol/B1: 2.93801	Sterimol/B2: 2.93894	Sterimol/B3: 3.2714
Sterimol/B4: 7.62533	Sterimol/L: 18.428

Surface and Volume Properties
Accessible surface: 588.908	Positive charged surface: 299.063	Negative charged surface: 289.844	Volume: 312.875
Hydrophobic surface: 512.333	Hydrophilic surface: 76.575

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.