MMsINC Database Search


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MMsINC code: MMs00192328

Type: Neutral
Formula: C₂₅H₂₀N₂O₂

SMILES:

O=C(N(c1cc2c(cc1)cccc2)c1ccccc1)c1cc(NC(=O)C)ccc1

InChI:

InChI=1/C25H20N2O2/c1-18(28)26-22-11-7-10-21(16-22)25(29)27(23-12-3-2-4-13-23)24-15-14-19-8-5-6-9-20(19)17-24/h2-17H,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.714 kcal/mol

Physical Properties
Molecular Weight: 380.447 g/mol	logS: -7.16007	SlogP: 5.7767	Reactive groups: 0

Topological Properties
Globularity: 0.0647366	Sterimol/B1: 2.52886	Sterimol/B2: 2.96992	Sterimol/B3: 3.8219
Sterimol/B4: 10.5105	Sterimol/L: 17.5289

Surface and Volume Properties
Accessible surface: 646.129	Positive charged surface: 357.983	Negative charged surface: 276.781	Volume: 371.5
Hydrophobic surface: 568.813	Hydrophilic surface: 77.316

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.