MMsINC Database Search


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MMsINC code: MMs03161714

Type: Neutral
Formula: C₂₄H₃₆N₄O₃

SMILES:

O(CCN(Cc1n(ccc1)C)C(=O)CN(CCCC)C(=O)Nc1c(cccc1C)C)C

InChI:

InChI=1/C24H36N4O3/c1-6-7-14-28(24(30)25-23-19(2)10-8-11-20(23)3)18-22(29)27(15-16-31-5)17-21-12-9-13-26(21)4/h8-13H,6-7,14-18H2,1-5H3,(H,25,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.3276 kcal/mol

Physical Properties
Molecular Weight: 428.577 g/mol	logS: -3.15461	SlogP: 4.57674	Reactive groups: 0

Topological Properties
Globularity: 0.157864	Sterimol/B1: 2.29061	Sterimol/B2: 4.02006	Sterimol/B3: 5.13338
Sterimol/B4: 12.339	Sterimol/L: 15.9144

Surface and Volume Properties
Accessible surface: 759.144	Positive charged surface: 552.602	Negative charged surface: 206.542	Volume: 448.625
Hydrophobic surface: 683.247	Hydrophilic surface: 75.897

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0

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Ions/Tautomers related molecules: no related molecules available.