MMsINC Database Search


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MMsINC code: MMs00507388

Type: Neutral
Formula: C₂₅H₂₀N₂O₂

SMILES:

O=C(N(c1cc2c(cc1)cccc2)c1ccccc1)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C25H20N2O2/c1-18(28)26-22-14-11-20(12-15-22)25(29)27(23-9-3-2-4-10-23)24-16-13-19-7-5-6-8-21(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)=189.659 kcal/mol

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

Topological Properties
Globularity: 0.0393646	Sterimol/B1: 2.70041	Sterimol/B2: 3.94381	Sterimol/B3: 4.54526
Sterimol/B4: 6.75797	Sterimol/L: 19.2141

Surface and Volume Properties
Accessible surface: 638.304	Positive charged surface: 353.683	Negative charged surface: 274.083	Volume: 371.875
Hydrophobic surface: 565.673	Hydrophilic surface: 72.631

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.