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MMsINC code: MMs02148414

Type: Neutral
Formula: C₂₁H₂₆N₂O₃

SMILES:

O(C)c1cc(ccc1OC)CC(=O)Nc1ccccc1N1CCCCC1

InChI:

InChI=1/C21H26N2O3/c1-25-19-11-10-16(14-20(19)26-2)15-21(24)22-17-8-4-5-9-18(17)23-12-6-3-7-13-23/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.251 kcal/mol

Physical Properties
Molecular Weight: 354.45 g/mol	logS: -4.19866	SlogP: 3.87527	Reactive groups: 0

Topological Properties
Globularity: 0.112147	Sterimol/B1: 2.3643	Sterimol/B2: 2.86855	Sterimol/B3: 6.29423
Sterimol/B4: 7.30925	Sterimol/L: 17.3572

Surface and Volume Properties
Accessible surface: 649.201	Positive charged surface: 500.218	Negative charged surface: 148.983	Volume: 356.75
Hydrophobic surface: 596.751	Hydrophilic surface: 52.45

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: no related molecules available.