MMsINC Database Search


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MMsINC code: MMs03727021

Type: Neutral
Formula: C₁₇H₂₀FNO

SMILES:

Fc1ccc(cc1)COc1ccccc1CNCCC

InChI:

InChI=1/C17H20FNO/c1-2-11-19-12-15-5-3-4-6-17(15)20-13-14-7-9-16(18)10-8-14/h3-10,19H,2,11-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.7638 kcal/mol

Physical Properties
Molecular Weight: 273.351 g/mol	logS: -3.76762	SlogP: 4.4371	Reactive groups: 0

Topological Properties
Globularity: 0.12104	Sterimol/B1: 2.16124	Sterimol/B2: 3.4039	Sterimol/B3: 3.76977
Sterimol/B4: 10.7571	Sterimol/L: 12.3895

Surface and Volume Properties
Accessible surface: 556.766	Positive charged surface: 355.19	Negative charged surface: 201.576	Volume: 283.125
Hydrophobic surface: 508.985	Hydrophilic surface: 47.781

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03727022
PUBCHEM-ZINC06430989