MMsINC Database Search


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MMsINC code: MMs00644295

Type: Neutral
Formula: C₁₈H₂₀F₂N₂

SMILES:

Fc1cccc(F)c1CN1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C18H20F2N2/c19-17-7-4-8-18(20)16(17)14-22-11-9-21(10-12-22)13-15-5-2-1-3-6-15/h1-8H,9-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3218 kcal/mol

Physical Properties
Molecular Weight: 302.368 g/mol	logS: -3.66092	SlogP: 3.8154	Reactive groups: 0

Topological Properties
Globularity: 0.08996	Sterimol/B1: 2.72548	Sterimol/B2: 3.14057	Sterimol/B3: 3.87126
Sterimol/B4: 6.74034	Sterimol/L: 14.9288

Surface and Volume Properties
Accessible surface: 545.419	Positive charged surface: 349.315	Negative charged surface: 196.104	Volume: 293.875
Hydrophobic surface: 531.499	Hydrophilic surface: 13.92

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00644297
CHEMBRIDGE-ZINC00759098