MMsINC Database Search


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MMsINC code: MMs00355711

Type: Neutral
Formula: C₁₄H₁₁FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N

InChI:

InChI=1/C14H11FN2O2/c15-11-5-1-10(2-6-11)14(19)17-12-7-3-9(4-8-12)13(16)18/h1-8H,(H2,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0643 kcal/mol

Physical Properties
Molecular Weight: 258.252 g/mol	logS: -3.90197	SlogP: 2.1769	Reactive groups: 0

Topological Properties
Globularity: 0.0126691	Sterimol/B1: 2.097	Sterimol/B2: 2.46103	Sterimol/B3: 3.03934
Sterimol/B4: 4.97316	Sterimol/L: 16.5469

Surface and Volume Properties
Accessible surface: 466.211	Positive charged surface: 239.837	Negative charged surface: 226.373	Volume: 230.875
Hydrophobic surface: 326.071	Hydrophilic surface: 140.14

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.