MMsINC Database Search


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MMsINC code: MMs00600562

Type: Neutral
Formula: C₂₀H₁₈FNO

SMILES:

Fc1ccccc1NCc1ccc(OCc2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2623 kcal/mol

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

Topological Properties
Globularity: 0.0296998	Sterimol/B1: 3.63604	Sterimol/B2: 3.73364	Sterimol/B3: 3.78648
Sterimol/B4: 3.92134	Sterimol/L: 20.3547

Surface and Volume Properties
Accessible surface: 595.031	Positive charged surface: 331.186	Negative charged surface: 263.845	Volume: 309.5
Hydrophobic surface: 568.549	Hydrophilic surface: 26.482

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.