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MMsINC code: MMs00660137

Type: Neutral
Formula: C₂₃H₁₈FNO₄

SMILES:

Fc1ccc(cc1)C1N(Cc2occc2)C(=O)C(O)=C1C(=O)c1ccc(cc1)C

InChI:

InChI=1/C23H18FNO4/c1-14-4-6-16(7-5-14)21(26)19-20(15-8-10-17(24)11-9-15)25(23(28)22(19)27)13-18-3-2-12-29-18/h2-12,20,27H,13H2,1H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.2073 kcal/mol

Physical Properties
Molecular Weight: 391.398 g/mol	logS: -6.15097	SlogP: 4.86752	Reactive groups: 1

Topological Properties
Globularity: 0.269397	Sterimol/B1: 3.64434	Sterimol/B2: 5.49315	Sterimol/B3: 6.72388
Sterimol/B4: 7.99551	Sterimol/L: 13.8146

Surface and Volume Properties
Accessible surface: 639.103	Positive charged surface: 319.149	Negative charged surface: 319.953	Volume: 361.125
Hydrophobic surface: 518.837	Hydrophilic surface: 120.266

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00660138
CHEMBRIDGE-ZINC01094535