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MMsINC code: MMs02536379

Type: Neutral
Formula: C₂₁H₂₁FN₂O₃

SMILES:

Fc1ccc(cc1)C(=O)C=1C(N(CCN(C)C)C(=O)C=1O)c1ccccc1

InChI:

InChI=1/C21H21FN2O3/c1-23(2)12-13-24-18(14-6-4-3-5-7-14)17(20(26)21(24)27)19(25)15-8-10-16(22)11-9-15/h3-11,18,26H,12-13H2,1-2H3/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9223 kcal/mol

Physical Properties
Molecular Weight: 368.408 g/mol	logS: -4.05547	SlogP: 3.0611	Reactive groups: 1

Topological Properties
Globularity: 0.186263	Sterimol/B1: 2.1947	Sterimol/B2: 5.1704	Sterimol/B3: 5.77746
Sterimol/B4: 6.38894	Sterimol/L: 15.9962

Surface and Volume Properties
Accessible surface: 604.297	Positive charged surface: 382.21	Negative charged surface: 222.087	Volume: 348.375
Hydrophobic surface: 494.033	Hydrophilic surface: 110.264

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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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