MMsINC Database Search


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MMsINC code: MMs00211272

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C)c1ccc(NC(=O)c2cc(nc3c2cccc3C)-c2ccccc2)cc1

InChI:

InChI=1/C24H20N2O2/c1-16-7-6-10-20-21(24(27)25-18-11-13-19(28-2)14-12-18)15-22(26-23(16)20)17-8-4-3-5-9-17/h3-15H,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.988 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.54944	SlogP: 5.47112	Reactive groups: 0

Topological Properties
Globularity: 0.0150006	Sterimol/B1: 2.93908	Sterimol/B2: 3.01887	Sterimol/B3: 3.58248
Sterimol/B4: 9.64477	Sterimol/L: 18.5785

Surface and Volume Properties
Accessible surface: 647.225	Positive charged surface: 379.191	Negative charged surface: 257.773	Volume: 362
Hydrophobic surface: 591.423	Hydrophilic surface: 55.802

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.