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MMsINC code: MMs03953706

Type: Neutral
Formula: C₂₂H₃₄N₂O₃

SMILES:

O(C)c1c(cccc1OC)CN1CCC(CC1)C(=O)NC1CCCCCC1

InChI:

InChI=1/C22H34N2O3/c1-26-20-11-7-8-18(21(20)27-2)16-24-14-12-17(13-15-24)22(25)23-19-9-5-3-4-6-10-19/h7-8,11,17,19H,3-6,9-10,12-16H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.4433 kcal/mol

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

Topological Properties
Globularity: 0.0898121	Sterimol/B1: 2.09861	Sterimol/B2: 4.19339	Sterimol/B3: 5.47512
Sterimol/B4: 8.38616	Sterimol/L: 18.1626

Surface and Volume Properties
Accessible surface: 681.839	Positive charged surface: 557.921	Negative charged surface: 123.917	Volume: 383.75
Hydrophobic surface: 632.28	Hydrophilic surface: 49.559

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

MMs03953707
VITASM-ZINC04600045