MMsINC Database Search


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MMsINC code: MMs01161901

Type: Neutral
Formula: C₂₄H₃₈N₂O₂

SMILES:

O=C(N1CCc2c(cccc2)C1C)CN(C(=O)CCCCCC)CCCCC

InChI:

InChI=1/C24H38N2O2/c1-4-6-8-9-15-23(27)25(17-12-7-5-2)19-24(28)26-18-16-21-13-10-11-14-22(21)20(26)3/h10-11,13-14,20H,4-9,12,15-19H2,1-3H3/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5526 kcal/mol

Physical Properties
Molecular Weight: 386.58 g/mol	logS: -5.83211	SlogP: 5.21697	Reactive groups: 0

Topological Properties
Globularity: 0.0690129	Sterimol/B1: 2.28269	Sterimol/B2: 4.04254	Sterimol/B3: 4.15007
Sterimol/B4: 12.9746	Sterimol/L: 19.1152

Surface and Volume Properties
Accessible surface: 761.557	Positive charged surface: 552.513	Negative charged surface: 209.044	Volume: 425.5
Hydrophobic surface: 646.855	Hydrophilic surface: 114.702

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.