MMsINC Database Search


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MMsINC code: MMs02640429

Type: Neutral
Formula: C₁₁H₁₅F₂NO₂

SMILES:

Fc1cccc(F)c1CN(CCO)CCO

InChI:

InChI=1/C11H15F2NO2/c12-10-2-1-3-11(13)9(10)8-14(4-6-15)5-7-16/h1-3,15-16H,4-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.3462 kcal/mol

Physical Properties
Molecular Weight: 231.242 g/mol	logS: -1.44121	SlogP: 1.0178	Reactive groups: 0

Topological Properties
Globularity: 0.207374	Sterimol/B1: 3.48361	Sterimol/B2: 3.95689	Sterimol/B3: 4.5761
Sterimol/B4: 5.10469	Sterimol/L: 11.7498

Surface and Volume Properties
Accessible surface: 421.966	Positive charged surface: 299.33	Negative charged surface: 122.636	Volume: 210.375
Hydrophobic surface: 331.501	Hydrophilic surface: 90.465

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02640430
PUBCHEM-ZINC00214263