MMsINC Database Search


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MMsINC code: MMs00675962

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O=C1N(C(=O)c2c1cc(cc2)C(=O)Nc1ccccc1CC)c1cc(ccc1)C

InChI:

InChI=1/C24H20N2O3/c1-3-16-8-4-5-10-21(16)25-22(27)17-11-12-19-20(14-17)24(29)26(23(19)28)18-9-6-7-15(2)13-18/h4-14H,3H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.073 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -6.87819	SlogP: 4.61029	Reactive groups: 0

Topological Properties
Globularity: 0.00993606	Sterimol/B1: 2.43511	Sterimol/B2: 2.48969	Sterimol/B3: 3.42352
Sterimol/B4: 7.40852	Sterimol/L: 20.3619

Surface and Volume Properties
Accessible surface: 649.381	Positive charged surface: 359.513	Negative charged surface: 289.868	Volume: 369.5
Hydrophobic surface: 531.327	Hydrophilic surface: 118.054

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.