MMsINC Database Search


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MMsINC code: MMs00904460

Type: Neutral
Formula: C₂₄H₃₀N₂O₂

SMILES:

O(C(C)C)CCCNC(=O)CCc1c2c(n(c1)Cc1ccccc1)cccc2

InChI:

InChI=1/C24H30N2O2/c1-19(2)28-16-8-15-25-24(27)14-13-21-18-26(17-20-9-4-3-5-10-20)23-12-7-6-11-22(21)23/h3-7,9-12,18-19H,8,13-17H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.2426 kcal/mol

Physical Properties
Molecular Weight: 378.516 g/mol	logS: -4.42504	SlogP: 4.81987	Reactive groups: 0

Topological Properties
Globularity: 0.0274066	Sterimol/B1: 2.86934	Sterimol/B2: 4.48582	Sterimol/B3: 5.37811
Sterimol/B4: 5.99965	Sterimol/L: 22.9039

Surface and Volume Properties
Accessible surface: 740.887	Positive charged surface: 498.192	Negative charged surface: 238.22	Volume: 401.25
Hydrophobic surface: 624.124	Hydrophilic surface: 116.763

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.