MMsINC Database Search


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MMsINC code: MMs01557613

Type: Neutral
Formula: C₂₃H₂₀FNO₃

SMILES:

Fc1ccc(cc1)C(=O)c1ccc(OC(C(=O)NCc2ccccc2)C)cc1

InChI:

InChI=1/C23H20FNO3/c1-16(23(27)25-15-17-5-3-2-4-6-17)28-21-13-9-19(10-14-21)22(26)18-7-11-20(24)12-8-18/h2-14,16H,15H2,1H3,(H,25,27)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.851 kcal/mol

Physical Properties
Molecular Weight: 377.415 g/mol	logS: -6.07073	SlogP: 4.4068	Reactive groups: 0

Topological Properties
Globularity: 0.0467959	Sterimol/B1: 2.13122	Sterimol/B2: 4.8154	Sterimol/B3: 5.73294
Sterimol/B4: 6.26762	Sterimol/L: 19.2954

Surface and Volume Properties
Accessible surface: 672.836	Positive charged surface: 360.342	Negative charged surface: 312.495	Volume: 359.75
Hydrophobic surface: 566.255	Hydrophilic surface: 106.581

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.