MMsINC Database Search


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MMsINC code: MMs01707945

Type: Neutral
Formula: C₂₁H₁₈FNO₂

SMILES:

Fc1ccc(cc1)CN(C(=O)c1cc(Oc2ccccc2)ccc1)C

InChI:

InChI=1/C21H18FNO2/c1-23(15-16-10-12-18(22)13-11-16)21(24)17-6-5-9-20(14-17)25-19-7-3-2-4-8-19/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.878 kcal/mol

Physical Properties
Molecular Weight: 335.378 g/mol	logS: -5.27061	SlogP: 5.1566	Reactive groups: 0

Topological Properties
Globularity: 0.105439	Sterimol/B1: 2.49608	Sterimol/B2: 3.80227	Sterimol/B3: 4.93526
Sterimol/B4: 7.79279	Sterimol/L: 14.2468

Surface and Volume Properties
Accessible surface: 589.066	Positive charged surface: 334.421	Negative charged surface: 254.644	Volume: 324.375
Hydrophobic surface: 556.658	Hydrophilic surface: 32.408

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.