MMsINC Database Search


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MMsINC code: MMs02663528

Type: Neutral
Formula: C₂₃H₁₇NO₂

SMILES:

O(c1ccc(cc1)C(=O)Nc1c2c(ccc1)cccc2)c1ccccc1

InChI:

InChI=1/C23H17NO2/c25-23(24-22-12-6-8-17-7-4-5-11-21(17)22)18-13-15-20(16-14-18)26-19-9-2-1-3-10-19/h1-16H,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.377 kcal/mol

Physical Properties
Molecular Weight: 339.394 g/mol	logS: -7.01546	SlogP: 5.8844	Reactive groups: 0

Topological Properties
Globularity: 0.041684	Sterimol/B1: 2.84538	Sterimol/B2: 4.2867	Sterimol/B3: 5.03851
Sterimol/B4: 5.71808	Sterimol/L: 18.914

Surface and Volume Properties
Accessible surface: 605.361	Positive charged surface: 315.853	Negative charged surface: 279.712	Volume: 335
Hydrophobic surface: 574.742	Hydrophilic surface: 30.619

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.