MMsINC Database Search


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MMsINC code: MMs00669677

Type: Neutral
Formula: C₂₆H₂₂N₂O₂

SMILES:

O=C(Nc1ccccc1C)c1ccccc1NC(=O)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C26H22N2O2/c1-18-9-2-6-15-23(18)28-26(30)22-14-5-7-16-24(22)27-25(29)17-20-12-8-11-19-10-3-4-13-21(19)20/h2-16H,17H2,1H3,(H,27,29)(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.273 kcal/mol

Physical Properties
Molecular Weight: 394.474 g/mol	logS: -7.42468	SlogP: 5.58169	Reactive groups: 0

Topological Properties
Globularity: 0.0722986	Sterimol/B1: 4.07581	Sterimol/B2: 4.62708	Sterimol/B3: 5.99514
Sterimol/B4: 6.10364	Sterimol/L: 18.1253

Surface and Volume Properties
Accessible surface: 687.906	Positive charged surface: 386.953	Negative charged surface: 293.192	Volume: 390
Hydrophobic surface: 647.342	Hydrophilic surface: 40.564

Pharmacophoric Properties
Hydrogen bond donors: 2	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.