MMsINC Database Search


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MMsINC code: MMs00764083

Type: Neutral
Formula: C₁₆H₁₁FN₂O₂

SMILES:

Fc1ccccc1NC(=O)C(=O)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C16H11FN2O2/c17-12-6-2-4-8-14(12)19-16(21)15(20)11-9-18-13-7-3-1-5-10(11)13/h1-9,18H,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.4476 kcal/mol

Physical Properties
Molecular Weight: 282.274 g/mol	logS: -4.2711	SlogP: 3.1284	Reactive groups: 0

Topological Properties
Globularity: 0.0100927	Sterimol/B1: 2.51036	Sterimol/B2: 2.60804	Sterimol/B3: 2.77228
Sterimol/B4: 5.67353	Sterimol/L: 16.703

Surface and Volume Properties
Accessible surface: 499.227	Positive charged surface: 246.939	Negative charged surface: 246.194	Volume: 252.875
Hydrophobic surface: 387.592	Hydrophilic surface: 111.635

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.