MMsINC Database Search


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MMsINC code: MMs02960039

Type: Neutral
Formula: C₁₅H₂₀FNO₃

SMILES:

Fc1ccc(cc1)C(=O)CCNC(C(CC)C)C(O)=O

InChI:

InChI=1/C15H20FNO3/c1-3-10(2)14(15(19)20)17-9-8-13(18)11-4-6-12(16)7-5-11/h4-7,10,14,17H,3,8-9H2,1-2H3,(H,19,20)/t10-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.43 kcal/mol

Physical Properties
Molecular Weight: 281.327 g/mol	logS: -2.87544	SlogP: 2.4874	Reactive groups: 0

Topological Properties
Globularity: 0.0510565	Sterimol/B1: 2.37627	Sterimol/B2: 3.32953	Sterimol/B3: 4.507
Sterimol/B4: 4.98257	Sterimol/L: 17.4988

Surface and Volume Properties
Accessible surface: 525.658	Positive charged surface: 320.781	Negative charged surface: 204.877	Volume: 273.5
Hydrophobic surface: 376.55	Hydrophilic surface: 149.108

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.