MMsINC Database Search


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MMsINC code: MMs01658889

Type: Neutral
Formula: C₁₇H₁₈F₂N₂O

SMILES:

Fc1cc(cc(F)c1)C(=O)NCC(N(C)C)c1ccccc1

InChI:

InChI=1/C17H18F2N2O/c1-21(2)16(12-6-4-3-5-7-12)11-20-17(22)13-8-14(18)10-15(19)9-13/h3-10,16H,11H2,1-2H3,(H,20,22)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5098 kcal/mol

Physical Properties
Molecular Weight: 304.34 g/mol	logS: -3.78676	SlogP: 3.093	Reactive groups: 0

Topological Properties
Globularity: 0.101401	Sterimol/B1: 2.2268	Sterimol/B2: 3.8569	Sterimol/B3: 5.077
Sterimol/B4: 5.75907	Sterimol/L: 16.4701

Surface and Volume Properties
Accessible surface: 535.916	Positive charged surface: 303.094	Negative charged surface: 232.823	Volume: 286.875
Hydrophobic surface: 498.213	Hydrophilic surface: 37.703

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01658890
ENAMINE-ZINC06145059