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MMsINC code: MMs03836566

Type: Neutral
Formula: C₂₀H₂₅FN₂O

SMILES:

Fc1ccc(NC2CCN(CC2)Cc2ccc(OCC)cc2)cc1

InChI:

InChI=1/C20H25FN2O/c1-2-24-20-9-3-16(4-10-20)15-23-13-11-19(12-14-23)22-18-7-5-17(21)6-8-18/h3-10,19,22H,2,11-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4354 kcal/mol

Physical Properties
Molecular Weight: 328.431 g/mol	logS: -4.07208	SlogP: 4.5673	Reactive groups: 0

Topological Properties
Globularity: 0.0733336	Sterimol/B1: 2.48093	Sterimol/B2: 3.3331	Sterimol/B3: 4.57848
Sterimol/B4: 7.28098	Sterimol/L: 18.8163

Surface and Volume Properties
Accessible surface: 615.353	Positive charged surface: 417.242	Negative charged surface: 198.11	Volume: 333
Hydrophobic surface: 563.263	Hydrophilic surface: 52.09

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs03836567
PUBCHEM-ZINC06656805