MMsINC Database Search


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MMsINC code: MMs00161871

Type: Neutral
Formula: C₂₆H₂₂N₂O₂

SMILES:

O=C(N1CCN(CC1)C(=O)c1c2c(ccc1)cccc2)c1c2c(ccc1)cccc2

InChI:

InChI=1/C26H22N2O2/c29-25(23-13-5-9-19-7-1-3-11-21(19)23)27-15-17-28(18-16-27)26(30)24-14-6-10-20-8-2-4-12-22(20)24/h1-14H,15-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.604 kcal/mol

Physical Properties
Molecular Weight: 394.474 g/mol	logS: -7.1641	SlogP: 4.5912	Reactive groups: 0

Topological Properties
Globularity: 0.107838	Sterimol/B1: 2.96292	Sterimol/B2: 4.23438	Sterimol/B3: 5.37021
Sterimol/B4: 5.51015	Sterimol/L: 17.8522

Surface and Volume Properties
Accessible surface: 643.492	Positive charged surface: 370.915	Negative charged surface: 254.796	Volume: 384.125
Hydrophobic surface: 592.559	Hydrophilic surface: 50.933

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.