MMsINC Database Search


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MMsINC code: MMs00000371

Type: Neutral
Formula: C₉H₁₀FNO₂

SMILES:

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

InChI:

InChI=1/C9H10FNO2/c1-9(11,8(12)13)6-2-4-7(10)5-3-6/h2-5H,11H2,1H3,(H,12,13)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6677 kcal/mol

Physical Properties
Molecular Weight: 183.182 g/mol	logS: -1.66783	SlogP: 1.3957	Reactive groups: 0

Topological Properties
Globularity: 0.219317	Sterimol/B1: 2.29896	Sterimol/B2: 2.53112	Sterimol/B3: 4.69577
Sterimol/B4: 4.92971	Sterimol/L: 10.7431

Surface and Volume Properties
Accessible surface: 352.81	Positive charged surface: 191.878	Negative charged surface: 160.932	Volume: 164
Hydrophobic surface: 210.378	Hydrophilic surface: 142.432

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

MMs00000372
ACDBLOCKS-ZINC01669706