MMsINC Database Search


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MMsINC code: MMs01288757

Type: Neutral
Formula: C₂₅H₁₉NO₃

SMILES:

O(C(=O)C)c1ccc(cc1)-c1cc(ccc1)C(=O)Nc1c2c(ccc1)cccc2

InChI:

InChI=1/C25H19NO3/c1-17(27)29-22-14-12-18(13-15-22)20-8-4-9-21(16-20)25(28)26-24-11-5-7-19-6-2-3-10-23(19)24/h2-16H,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136 kcal/mol

Physical Properties
Molecular Weight: 381.431 g/mol	logS: -8.01265	SlogP: 5.6844	Reactive groups: 0

Topological Properties
Globularity: 0.00983615	Sterimol/B1: 2.92157	Sterimol/B2: 2.99042	Sterimol/B3: 3.94696
Sterimol/B4: 6.90794	Sterimol/L: 21.738

Surface and Volume Properties
Accessible surface: 664.302	Positive charged surface: 327.942	Negative charged surface: 314.965	Volume: 371.625
Hydrophobic surface: 590.798	Hydrophilic surface: 73.504

Pharmacophoric Properties
Hydrogen bond donors: 1	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.