MMsINC Database Search


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MMsINC code: MMs01260364

Type: Neutral
Formula: C₂₃H₂₇N₃O₃

SMILES:

O=C1N(CC(=O)N(C(C)C)C(C)C)C(=O)NC1(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H27N3O3/c1-16(2)26(17(3)4)20(27)15-25-21(28)23(24-22(25)29,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17H,15H2,1-4H3,(H,24,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.791 kcal/mol

Physical Properties
Molecular Weight: 393.487 g/mol	logS: -4.94571	SlogP: 3.4389	Reactive groups: 0

Topological Properties
Globularity: 0.148189	Sterimol/B1: 2.59276	Sterimol/B2: 4.12732	Sterimol/B3: 4.89924
Sterimol/B4: 8.79665	Sterimol/L: 15.4014

Surface and Volume Properties
Accessible surface: 645.97	Positive charged surface: 371.55	Negative charged surface: 274.42	Volume: 385.25
Hydrophobic surface: 492.312	Hydrophilic surface: 153.658

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.