MMsINC Database Search


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MMsINC code: MMs00454628

Type: Neutral
Formula: C₁₁H₁₀FNO₂

SMILES:

Fc1c2NC(=O)C(CC)=C(O)c2ccc1

InChI:

InChI=1/C11H10FNO2/c1-2-6-10(14)7-4-3-5-8(12)9(7)13-11(6)15/h3-5H,2H2,1H3,(H2,13,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.0865 kcal/mol

Physical Properties
Molecular Weight: 207.204 g/mol	logS: -2.71642	SlogP: 2.4569	Reactive groups: 0

Topological Properties
Globularity: 0.0489824	Sterimol/B1: 2.12069	Sterimol/B2: 3.48598	Sterimol/B3: 3.89337
Sterimol/B4: 4.31389	Sterimol/L: 12.1951

Surface and Volume Properties
Accessible surface: 383.044	Positive charged surface: 221.966	Negative charged surface: 161.078	Volume: 183.875
Hydrophobic surface: 268.967	Hydrophilic surface: 114.077

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.