MMsINC Database Search


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MMsINC code: MMs00906625

Type: Neutral
Formula: C₂₄H₃₄N₂O₂

SMILES:

O=C1N(CC(=O)N(C1c1ccc(cc1)C)C1CCCCC1)C1CCCCCC1

InChI:

InChI=1/C24H34N2O2/c1-18-13-15-19(16-14-18)23-24(28)25(20-9-5-2-3-6-10-20)17-22(27)26(23)21-11-7-4-8-12-21/h13-16,20-21,23H,2-12,17H2,1H3/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.607 kcal/mol

Physical Properties
Molecular Weight: 382.548 g/mol	logS: -5.57186	SlogP: 4.85792	Reactive groups: 0

Topological Properties
Globularity: 0.110601	Sterimol/B1: 2.12266	Sterimol/B2: 3.47014	Sterimol/B3: 4.40475
Sterimol/B4: 11.1502	Sterimol/L: 15.9524

Surface and Volume Properties
Accessible surface: 646.803	Positive charged surface: 472.119	Negative charged surface: 174.684	Volume: 397.5
Hydrophobic surface: 609.769	Hydrophilic surface: 37.034

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.