MMsINC Database Search


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MMsINC code: MMs03783119

Type: Neutral
Formula: C₉H₁₀FNO₃

SMILES:

Fc1ccc(cc1O)CC(N)C(O)=O

InChI:

InChI=1/C9H10FNO3/c10-6-2-1-5(4-8(6)12)3-7(11)9(13)14/h1-2,4,7,12H,3,11H2,(H,13,14)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.5117 kcal/mol

Physical Properties
Molecular Weight: 199.181 g/mol	logS: -1.04014	SlogP: 0.48567	Reactive groups: 0

Topological Properties
Globularity: 0.0720089	Sterimol/B1: 2.59298	Sterimol/B2: 2.81356	Sterimol/B3: 3.2288
Sterimol/B4: 5.11647	Sterimol/L: 12.1236

Surface and Volume Properties
Accessible surface: 378.882	Positive charged surface: 214.071	Negative charged surface: 164.811	Volume: 171.625
Hydrophobic surface: 188.573	Hydrophilic surface: 190.309

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.