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MMsINC code: MMs01183277

Type: Neutral
Formula: C₂₄H₃₇N₃O₃

SMILES:

O1c2cc(ccc2OC1)CN(C(=O)C1CCCCCC1)CCCN1CCN(CC1)C

InChI:

InChI=1/C24H37N3O3/c1-25-13-15-26(16-14-25)11-6-12-27(24(28)21-7-4-2-3-5-8-21)18-20-9-10-22-23(17-20)30-19-29-22/h9-10,17,21H,2-8,11-16,18-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.308 kcal/mol

Physical Properties
Molecular Weight: 415.578 g/mol	logS: -3.89625	SlogP: 3.6182	Reactive groups: 0

Topological Properties
Globularity: 0.107747	Sterimol/B1: 3.6862	Sterimol/B2: 3.69374	Sterimol/B3: 4.30241
Sterimol/B4: 9.3772	Sterimol/L: 18.0439

Surface and Volume Properties
Accessible surface: 719.411	Positive charged surface: 583.148	Negative charged surface: 136.263	Volume: 429.125
Hydrophobic surface: 635.955	Hydrophilic surface: 83.456

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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

MMs01183278
COMGENEX-ZINC06688337