MMsINC Database Search


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MMsINC code: MMs02973496

Type: Neutral
Formula: C₂₄H₁₉NO₃

SMILES:

O(C(=O)c1ccccc1)c1cc2c(n(c(C)c2C(=O)C)-c2ccccc2)cc1

InChI:

InChI=1/C24H19NO3/c1-16-23(17(2)26)21-15-20(28-24(27)18-9-5-3-6-10-18)13-14-22(21)25(16)19-11-7-4-8-12-19/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.809 kcal/mol

Physical Properties
Molecular Weight: 369.42 g/mol	logS: -6.13237	SlogP: 5.36072	Reactive groups: 0

Topological Properties
Globularity: 0.058871	Sterimol/B1: 3.07397	Sterimol/B2: 4.38513	Sterimol/B3: 4.38696
Sterimol/B4: 7.1396	Sterimol/L: 18.5584

Surface and Volume Properties
Accessible surface: 655.815	Positive charged surface: 349.607	Negative charged surface: 301.517	Volume: 363.375
Hydrophobic surface: 586.86	Hydrophilic surface: 68.955

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.