MMsINC Database Search


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MMsINC code: MMs01419013

Type: Neutral
Formula: C₁₇H₁₄FNO₃

SMILES:

Fc1ccc(NC(=O)C2OC(=O)c3cc(ccc3C2)C)cc1

InChI:

InChI=1/C17H14FNO3/c1-10-2-3-11-9-15(22-17(21)14(11)8-10)16(20)19-13-6-4-12(18)5-7-13/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.0422 kcal/mol

Physical Properties
Molecular Weight: 299.301 g/mol	logS: -4.71581	SlogP: 2.85429	Reactive groups: 0

Topological Properties
Globularity: 0.0123195	Sterimol/B1: 2.76394	Sterimol/B2: 2.86643	Sterimol/B3: 3.89673
Sterimol/B4: 5.00662	Sterimol/L: 17.6147

Surface and Volume Properties
Accessible surface: 529.771	Positive charged surface: 279.562	Negative charged surface: 250.209	Volume: 272.25
Hydrophobic surface: 431.812	Hydrophilic surface: 97.959

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.