MMsINC Database Search


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MMsINC code: MMs00140302

Type: Neutral
Formula: C₁₄H₁₁FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N

InChI:

InChI=1/C14H11FN2O2/c15-10-7-5-9(6-8-10)14(19)17-12-4-2-1-3-11(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)=68.0565 kcal/mol

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

Topological Properties
Globularity: 0.0207893	Sterimol/B1: 2.51728	Sterimol/B2: 2.65986	Sterimol/B3: 3.45966
Sterimol/B4: 6.30911	Sterimol/L: 14.2813

Surface and Volume Properties
Accessible surface: 454.577	Positive charged surface: 238.911	Negative charged surface: 215.666	Volume: 230.625
Hydrophobic surface: 333.291	Hydrophilic surface: 121.286

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.