MMsINC Database Search


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MMsINC code: MMs01083464

Type: Neutral
Formula: C₂₃H₁₇NO₂

SMILES:

Oc1c2c(ccc1C(=O)N(c1ccccc1)c1ccccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=185.394 kcal/mol

Physical Properties
Molecular Weight: 339.394 g/mol	logS: -6.58867	SlogP: 5.5239	Reactive groups: 0

Topological Properties
Globularity: 0.0440761	Sterimol/B1: 2.53109	Sterimol/B2: 3.15988	Sterimol/B3: 3.58044
Sterimol/B4: 8.87249	Sterimol/L: 16.2756

Surface and Volume Properties
Accessible surface: 567.395	Positive charged surface: 307.316	Negative charged surface: 249.54	Volume: 329.5
Hydrophobic surface: 511.19	Hydrophilic surface: 56.205

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.