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MMsINC code: MMs03312708

Type: Neutral
Formula: C₂₂H₃₄N₂O₃

SMILES:

O(C)c1cc(OC)ccc1CN1CCC(CC1)C(=O)NC1CCCCCC1

InChI:

InChI=1/C22H34N2O3/c1-26-20-10-9-18(21(15-20)27-2)16-24-13-11-17(12-14-24)22(25)23-19-7-5-3-4-6-8-19/h9-10,15,17,19H,3-8,11-14,16H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.169 kcal/mol

Physical Properties
Molecular Weight: 374.525 g/mol	logS: -3.82488	SlogP: 4.0212	Reactive groups: 0

Topological Properties
Globularity: 0.104633	Sterimol/B1: 2.2362	Sterimol/B2: 3.86896	Sterimol/B3: 4.99302
Sterimol/B4: 8.63802	Sterimol/L: 18.4984

Surface and Volume Properties
Accessible surface: 689.082	Positive charged surface: 568.105	Negative charged surface: 120.977	Volume: 389.375
Hydrophobic surface: 639.153	Hydrophilic surface: 49.929

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs03312709
PUBCHEM-ZINC05578204