MMsINC Database Search


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MMsINC code: MMs02078926

Type: Neutral
Formula: C₁₀H₁₁FN₂O₂

SMILES:

Fc1ccc(NC(=O)C(=O)NCC)cc1

InChI:

InChI=1/C10H11FN2O2/c1-2-12-9(14)10(15)13-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,14)(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.0906 kcal/mol

Physical Properties
Molecular Weight: 210.208 g/mol	logS: -2.38173	SlogP: 0.9003	Reactive groups: 0

Topological Properties
Globularity: 0.020421	Sterimol/B1: 2.51352	Sterimol/B2: 2.90207	Sterimol/B3: 3.34194
Sterimol/B4: 4.40535	Sterimol/L: 14.9773

Surface and Volume Properties
Accessible surface: 422.38	Positive charged surface: 250.495	Negative charged surface: 171.885	Volume: 191.875
Hydrophobic surface: 299.505	Hydrophilic surface: 122.875

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.