MMsINC Database Search


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MMsINC code: MMs03139319

Type: Neutral
Formula: C₂₃H₃₄N₄O₃

SMILES:

O(CCN(CC(=O)N(Cc1ccccc1)Cc1n(ccc1)C)C(=O)NC(C)(C)C)C

InChI:

InChI=1/C23H34N4O3/c1-23(2,3)24-22(29)26(14-15-30-5)18-21(28)27(16-19-10-7-6-8-11-19)17-20-12-9-13-25(20)4/h6-13H,14-18H2,1-5H3,(H,24,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7762 kcal/mol

Physical Properties
Molecular Weight: 414.55 g/mol	logS: -2.71514	SlogP: 3.9024	Reactive groups: 0

Topological Properties
Globularity: 0.257824	Sterimol/B1: 4.35269	Sterimol/B2: 5.73492	Sterimol/B3: 6.85409
Sterimol/B4: 7.47513	Sterimol/L: 15.9633

Surface and Volume Properties
Accessible surface: 717.379	Positive charged surface: 513.986	Negative charged surface: 203.393	Volume: 430.375
Hydrophobic surface: 603.639	Hydrophilic surface: 113.74

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: 1

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Ions/Tautomers related molecules: no related molecules available.