MMsINC Database Search


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MMsINC code: MMs00563257

Type: Neutral
Formula: C₂₅H₂₀N₂O₂

SMILES:

O=C(C(=O)N1CCc2c1cccc2)c1c2c(n(C)c1-c1ccccc1)cccc2

InChI:

InChI=1/C25H20N2O2/c1-26-21-14-8-6-12-19(21)22(23(26)18-10-3-2-4-11-18)24(28)25(29)27-16-15-17-9-5-7-13-20(17)27/h2-14H,15-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.214 kcal/mol

Physical Properties
Molecular Weight: 380.447 g/mol	logS: -6.34319	SlogP: 4.97647	Reactive groups: 0

Topological Properties
Globularity: 0.217871	Sterimol/B1: 4.06337	Sterimol/B2: 4.98971	Sterimol/B3: 5.68512
Sterimol/B4: 7.19215	Sterimol/L: 13.6311

Surface and Volume Properties
Accessible surface: 610.782	Positive charged surface: 354.323	Negative charged surface: 253.356	Volume: 368.75
Hydrophobic surface: 562.636	Hydrophilic surface: 48.146

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.