MMsINC Database Search


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MMsINC code: MMs00805992

Type: Neutral
Formula: C₁₈H₂₃FN₂O₂

SMILES:

Fc1ccccc1-c1oc(cc1)CNCCCN1CCOCC1

InChI:

InChI=1/C18H23FN2O2/c19-17-5-2-1-4-16(17)18-7-6-15(23-18)14-20-8-3-9-21-10-12-22-13-11-21/h1-2,4-7,20H,3,8-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5952 kcal/mol

Physical Properties
Molecular Weight: 318.392 g/mol	logS: -3.95825	SlogP: 3.164	Reactive groups: 0

Topological Properties
Globularity: 0.0461553	Sterimol/B1: 2.84433	Sterimol/B2: 3.00225	Sterimol/B3: 4.70238
Sterimol/B4: 6.36927	Sterimol/L: 19.6588

Surface and Volume Properties
Accessible surface: 614.315	Positive charged surface: 441.704	Negative charged surface: 172.612	Volume: 316.625
Hydrophobic surface: 566.099	Hydrophilic surface: 48.216

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

MMs00805993
CHEMBRIDGE-ZINC04867692