MMsINC Database Search


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MMsINC code: MMs02011182

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1c2c(n(C)c1C)cccc2

InChI:

InChI=1/C26H24N2O2/c1-19-24(22-15-9-10-16-23(22)27(19)2)25(29)26(30)28(17-20-11-5-3-6-12-20)18-21-13-7-4-8-14-21/h3-16H,17-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.465 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -5.78947	SlogP: 5.79042	Reactive groups: 0

Topological Properties
Globularity: 0.104046	Sterimol/B1: 2.09796	Sterimol/B2: 3.88389	Sterimol/B3: 4.12755
Sterimol/B4: 11.1263	Sterimol/L: 14.7446

Surface and Volume Properties
Accessible surface: 614.438	Positive charged surface: 359.847	Negative charged surface: 250.224	Volume: 401.75
Hydrophobic surface: 556.822	Hydrophilic surface: 57.616

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.