MMsINC Database Search


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MMsINC code: MMs01198552

Type: Neutral
Formula: C₂₄H₃₂N₂O₄

SMILES:

O(C(=O)c1n(C)c(C)c(C(=O)C(N(C(=O)C(CC)c2ccccc2)C)C)c1C)CC

InChI:

InChI=1/C24H32N2O4/c1-8-19(18-13-11-10-12-14-18)23(28)26(7)17(5)22(27)20-15(3)21(24(29)30-9-2)25(6)16(20)4/h10-14,17,19H,8-9H2,1-7H3/t17-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.994 kcal/mol

Physical Properties
Molecular Weight: 412.53 g/mol	logS: -4.30289	SlogP: 4.40124	Reactive groups: 0

Topological Properties
Globularity: 0.0850055	Sterimol/B1: 2.23106	Sterimol/B2: 3.3935	Sterimol/B3: 5.04974
Sterimol/B4: 8.03733	Sterimol/L: 18.8895

Surface and Volume Properties
Accessible surface: 683.068	Positive charged surface: 458.905	Negative charged surface: 224.163	Volume: 424.5
Hydrophobic surface: 548.493	Hydrophilic surface: 134.575

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.