MMsINC Database Search


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MMsINC code: MMs00626240

Type: Neutral
Formula: C₂₀H₁₈FNO

SMILES:

Fc1cc(ccc1)COc1ccccc1CNc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5173 kcal/mol

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

Topological Properties
Globularity: 0.160584	Sterimol/B1: 3.63917	Sterimol/B2: 3.88307	Sterimol/B3: 4.16985
Sterimol/B4: 9.45691	Sterimol/L: 12.5442

Surface and Volume Properties
Accessible surface: 583.25	Positive charged surface: 322.361	Negative charged surface: 260.888	Volume: 308.375
Hydrophobic surface: 564.697	Hydrophilic surface: 18.553

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.