MMsINC Database Search


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MMsINC code: MMs00600523

Type: Neutral
Formula: C₂₀H₁₈FNO

SMILES:

Fc1cc(NCc2ccc(OCc3ccccc3)cc2)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5314 kcal/mol

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

Topological Properties
Globularity: 0.0296167	Sterimol/B1: 3.63189	Sterimol/B2: 3.64315	Sterimol/B3: 3.78958
Sterimol/B4: 3.91538	Sterimol/L: 20.3535

Surface and Volume Properties
Accessible surface: 596.664	Positive charged surface: 328.389	Negative charged surface: 268.275	Volume: 307.75
Hydrophobic surface: 568.049	Hydrophilic surface: 28.615

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.