MMsINC Database Search


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MMsINC code: MMs03836230

Type: Neutral
Formula: C₂₄H₃₀N₂O₃

SMILES:

O(C(=O)c1ccccc1NC(=O)N1CCC(CC1)Cc1ccccc1)CCCC

InChI:

InChI=1/C24H30N2O3/c1-2-3-17-29-23(27)21-11-7-8-12-22(21)25-24(28)26-15-13-20(14-16-26)18-19-9-5-4-6-10-19/h4-12,20H,2-3,13-18H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8203 kcal/mol

Physical Properties
Molecular Weight: 394.515 g/mol	logS: -5.51966	SlogP: 5.13007	Reactive groups: 0

Topological Properties
Globularity: 0.0483329	Sterimol/B1: 2.55201	Sterimol/B2: 3.75233	Sterimol/B3: 4.36688
Sterimol/B4: 11.1911	Sterimol/L: 17.9932

Surface and Volume Properties
Accessible surface: 718.454	Positive charged surface: 499.18	Negative charged surface: 219.273	Volume: 403.25
Hydrophobic surface: 642.182	Hydrophilic surface: 76.272

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.