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MMsINC code: MMs00416367

Type: Neutral
Formula: C₁₈H₂₇FN₂O

SMILES:

Fc1ccccc1C1(O)CCN(CC1)CCN1CCCCC1

InChI:

InChI=1/C18H27FN2O/c19-17-7-3-2-6-16(17)18(22)8-12-21(13-9-18)15-14-20-10-4-1-5-11-20/h2-3,6-7,22H,1,4-5,8-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.1603 kcal/mol

Physical Properties
Molecular Weight: 306.425 g/mol	logS: -2.55319	SlogP: 2.9065	Reactive groups: 0

Topological Properties
Globularity: 0.0641421	Sterimol/B1: 3.29967	Sterimol/B2: 3.52863	Sterimol/B3: 3.99663
Sterimol/B4: 4.52614	Sterimol/L: 18.2559

Surface and Volume Properties
Accessible surface: 564.201	Positive charged surface: 426.349	Negative charged surface: 137.852	Volume: 311.25
Hydrophobic surface: 535.391	Hydrophilic surface: 28.81

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00416368
ASINEX-ZINC04967536