MMsINC Database Search


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MMsINC code: MMs01243487

Type: Neutral
Formula: C₁₄H₁₁FN₂O₂

SMILES:

Fc1ccccc1C(=O)NNC(=O)c1ccccc1

InChI:

InChI=1/C14H11FN2O2/c15-12-9-5-4-8-11(12)14(19)17-16-13(18)10-6-2-1-3-7-10/h1-9H,(H,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.636 kcal/mol

Physical Properties
Molecular Weight: 258.252 g/mol	logS: -3.87838	SlogP: 1.9005	Reactive groups: 0

Topological Properties
Globularity: 3.36477e-07	Sterimol/B1: 2.09835	Sterimol/B2: 2.1023	Sterimol/B3: 3.71364
Sterimol/B4: 4.31906	Sterimol/L: 16.5022

Surface and Volume Properties
Accessible surface: 473.333	Positive charged surface: 227.014	Negative charged surface: 246.319	Volume: 234.625
Hydrophobic surface: 383.976	Hydrophilic surface: 89.357

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.