MMsINC Database Search


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MMsINC code: MMs00701797

Type: Neutral
Formula: C₂₆H₂₄N₂O

SMILES:

O=C(Nc1ccccc1C(C)C)c1cc(nc2c1cccc2)-c1ccccc1C

InChI:

InChI=1/C26H24N2O/c1-17(2)19-11-6-8-14-23(19)28-26(29)22-16-25(20-12-5-4-10-18(20)3)27-24-15-9-7-13-21(22)24/h4-17H,1-3H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.497 kcal/mol

Physical Properties
Molecular Weight: 380.491 g/mol	logS: -8.00342	SlogP: 6.58592	Reactive groups: 0

Topological Properties
Globularity: 0.071934	Sterimol/B1: 2.44415	Sterimol/B2: 5.41716	Sterimol/B3: 5.86331
Sterimol/B4: 7.95158	Sterimol/L: 15.3523

Surface and Volume Properties
Accessible surface: 676.662	Positive charged surface: 382.855	Negative charged surface: 285.504	Volume: 390.125
Hydrophobic surface: 600.693	Hydrophilic surface: 75.969

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.