MMsINC Database Search


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MMsINC code: MMs01363225

Type: Neutral
Formula: C₂₁H₂₄FNO₄

SMILES:

Fc1ccc(cc1)CNC(=O)COC(=O)c1ccc(OCCCCC)cc1

InChI:

InChI=1/C21H24FNO4/c1-2-3-4-13-26-19-11-7-17(8-12-19)21(25)27-15-20(24)23-14-16-5-9-18(22)10-6-16/h5-12H,2-4,13-15H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3937 kcal/mol

Physical Properties
Molecular Weight: 373.424 g/mol	logS: -5.61186	SlogP: 4.1343	Reactive groups: 0

Topological Properties
Globularity: 0.0161599	Sterimol/B1: 2.01055	Sterimol/B2: 3.61863	Sterimol/B3: 3.6203
Sterimol/B4: 8.08679	Sterimol/L: 24.8676

Surface and Volume Properties
Accessible surface: 717.744	Positive charged surface: 456.736	Negative charged surface: 261.007	Volume: 362.375
Hydrophobic surface: 594.394	Hydrophilic surface: 123.35

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.