MMsINC Database Search


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MMsINC code: MMs00784589

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O=C1N(CCC(=O)N2CCCc3c2cccc3)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C24H20N2O3/c27-21(25-14-5-9-16-6-1-2-12-20(16)25)13-15-26-23(28)18-10-3-7-17-8-4-11-19(22(17)18)24(26)29/h1-4,6-8,10-12H,5,9,13-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.7655 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -5.97061	SlogP: 3.80527	Reactive groups: 0

Topological Properties
Globularity: 0.0803104	Sterimol/B1: 3.21382	Sterimol/B2: 3.27805	Sterimol/B3: 4.67147
Sterimol/B4: 5.39324	Sterimol/L: 18.3965

Surface and Volume Properties
Accessible surface: 632.22	Positive charged surface: 373.705	Negative charged surface: 246.584	Volume: 361.25
Hydrophobic surface: 550.334	Hydrophilic surface: 81.886

Pharmacophoric Properties
Hydrogen bond donors: 0	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.