MMsINC Database Search


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MMsINC code: MMs03751271

Type: Neutral
Formula: C₂₁H₁₉FN₂O₃

SMILES:

Fc1ccc(cc1)-c1c(C(=O)N)c(n(Cc2cc3OCOc3cc2)c1C)C

InChI:

InChI=1/C21H19FN2O3/c1-12-19(15-4-6-16(22)7-5-15)20(21(23)25)13(2)24(12)10-14-3-8-17-18(9-14)27-11-26-17/h3-9H,10-11H2,1-2H3,(H2,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3725 kcal/mol

Physical Properties
Molecular Weight: 366.392 g/mol	logS: -5.04537	SlogP: 4.05334	Reactive groups: 0

Topological Properties
Globularity: 0.142655	Sterimol/B1: 2.44159	Sterimol/B2: 3.41515	Sterimol/B3: 5.84303
Sterimol/B4: 6.93996	Sterimol/L: 15.659

Surface and Volume Properties
Accessible surface: 597.28	Positive charged surface: 356.53	Negative charged surface: 240.75	Volume: 342.5
Hydrophobic surface: 434.866	Hydrophilic surface: 162.414

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.