MMsINC Database Search


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MMsINC code: MMs00634936

Type: Neutral
Formula: C₂₀H₁₈FNO

SMILES:

Fc1ccccc1COc1ccc(cc1)CNc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3322 kcal/mol

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

Topological Properties
Globularity: 0.0373619	Sterimol/B1: 3.58589	Sterimol/B2: 3.67861	Sterimol/B3: 3.78905
Sterimol/B4: 4.43737	Sterimol/L: 20.3499

Surface and Volume Properties
Accessible surface: 588.827	Positive charged surface: 327.391	Negative charged surface: 261.436	Volume: 308
Hydrophobic surface: 568.052	Hydrophilic surface: 20.775

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.