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MMsINC code: MMs01707427

Type: Neutral
Formula: C₂₃H₂₉FN₂O₂

SMILES:

Fc1ccc(cc1)COc1ccccc1C(=O)NCC1(N(C)C)CCCCC1

InChI:

InChI=1/C23H29FN2O2/c1-26(2)23(14-6-3-7-15-23)17-25-22(27)20-8-4-5-9-21(20)28-16-18-10-12-19(24)13-11-18/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.849 kcal/mol

Physical Properties
Molecular Weight: 384.495 g/mol	logS: -5.0133	SlogP: 4.6654	Reactive groups: 0

Topological Properties
Globularity: 0.125387	Sterimol/B1: 3.5046	Sterimol/B2: 5.5796	Sterimol/B3: 5.96403
Sterimol/B4: 6.96774	Sterimol/L: 15.3143

Surface and Volume Properties
Accessible surface: 669.215	Positive charged surface: 452.465	Negative charged surface: 216.75	Volume: 385
Hydrophobic surface: 638.445	Hydrophilic surface: 30.77

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

MMs01707428
ENAMINE-ZINC06862410