MMsINC Database Search


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MMsINC code: MMs01385026

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

Fc1ccc(cc1)C(NC(=O)COC(=O)c1cc(ccc1C)C)C

InChI:

InChI=1/C19H20FNO3/c1-12-4-5-13(2)17(10-12)19(23)24-11-18(22)21-14(3)15-6-8-16(20)9-7-15/h4-10,14H,11H2,1-3H3,(H,21,22)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2641 kcal/mol

Physical Properties
Molecular Weight: 329.371 g/mol	logS: -5.27711	SlogP: 3.57224	Reactive groups: 0

Topological Properties
Globularity: 0.0355159	Sterimol/B1: 1.98807	Sterimol/B2: 3.28571	Sterimol/B3: 4.18712
Sterimol/B4: 7.71438	Sterimol/L: 18.5271

Surface and Volume Properties
Accessible surface: 613.667	Positive charged surface: 358.143	Negative charged surface: 255.524	Volume: 319.25
Hydrophobic surface: 527.87	Hydrophilic surface: 85.797

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.