MMsINC Database Search


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MMsINC code: MMs00730111

Type: Neutral
Formula: C₁₀H₁₁FN₂O₃

SMILES:

Fc1cc(NC(=O)C(=O)NCCO)ccc1

InChI:

InChI=1/C10H11FN2O3/c11-7-2-1-3-8(6-7)13-10(16)9(15)12-4-5-14/h1-3,6,14H,4-5H2,(H,12,15)(H,13,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.412 kcal/mol

Physical Properties
Molecular Weight: 226.207 g/mol	logS: -1.85198	SlogP: -0.1273	Reactive groups: 0

Topological Properties
Globularity: 0.0197161	Sterimol/B1: 2.52073	Sterimol/B2: 2.94084	Sterimol/B3: 3.07661
Sterimol/B4: 5.01072	Sterimol/L: 14.6685

Surface and Volume Properties
Accessible surface: 437.918	Positive charged surface: 270.96	Negative charged surface: 166.958	Volume: 198.625
Hydrophobic surface: 290.88	Hydrophilic surface: 147.038

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.