MMsINC Database Search


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MMsINC code: MMs01380262

Type: Neutral
Formula: C₁₄H₁₄FNO₂

SMILES:

Fc1ccc(cc1)C(NC(=O)c1oc(cc1)C)C

InChI:

InChI=1/C14H14FNO2/c1-9-3-8-13(18-9)14(17)16-10(2)11-4-6-12(15)7-5-11/h3-8,10H,1-2H3,(H,16,17)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.469 kcal/mol

Physical Properties
Molecular Weight: 247.269 g/mol	logS: -3.98606	SlogP: 3.31362	Reactive groups: 0

Topological Properties
Globularity: 0.0701915	Sterimol/B1: 2.46904	Sterimol/B2: 3.31844	Sterimol/B3: 3.5525
Sterimol/B4: 6.28571	Sterimol/L: 13.9141

Surface and Volume Properties
Accessible surface: 487.006	Positive charged surface: 260.175	Negative charged surface: 226.831	Volume: 236.375
Hydrophobic surface: 420.9	Hydrophilic surface: 66.106

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