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MMsINC code: MMs00841373

Type: Neutral
Formula: C₁₄H₁₆FNO₃

SMILES:

Fc1cc2CCC(N(c2cc1)C(=O)CCC(O)=O)C

InChI:

InChI=1/C14H16FNO3/c1-9-2-3-10-8-11(15)4-5-12(10)16(9)13(17)6-7-14(18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.413 kcal/mol

Physical Properties
Molecular Weight: 265.284 g/mol	logS: -2.24849	SlogP: 2.35817	Reactive groups: 0

Topological Properties
Globularity: 0.0366101	Sterimol/B1: 2.74917	Sterimol/B2: 2.88054	Sterimol/B3: 2.99347
Sterimol/B4: 7.149	Sterimol/L: 14.5858

Surface and Volume Properties
Accessible surface: 461.58	Positive charged surface: 281.128	Negative charged surface: 180.452	Volume: 239.25
Hydrophobic surface: 330.826	Hydrophilic surface: 130.754

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00841374
CHEMDIV-ZINC00214384