MMsINC Database Search


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MMsINC code: MMs00626244

Type: Neutral
Formula: C₂₀H₁₈FNO

SMILES:

Fc1ccc(cc1)COc1ccc(cc1)CNc1ccccc1

InChI:

InChI=1/C20H18FNO/c21-18-10-6-17(7-11-18)15-23-20-12-8-16(9-13-20)14-22-19-4-2-1-3-5-19/h1-13,22H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.3388 kcal/mol

Physical Properties
Molecular Weight: 307.368 g/mol	logS: -5.0625	SlogP: 5.5496	Reactive groups: 0

Topological Properties
Globularity: 0.0295947	Sterimol/B1: 3.22355	Sterimol/B2: 3.60216	Sterimol/B3: 3.93483
Sterimol/B4: 4.19804	Sterimol/L: 20.6284

Surface and Volume Properties
Accessible surface: 597.875	Positive charged surface: 329.215	Negative charged surface: 268.66	Volume: 308.125
Hydrophobic surface: 572.353	Hydrophilic surface: 25.522

Pharmacophoric Properties
Hydrogen bond donors: 1	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.