MMsINC Database Search


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MMsINC code: MMs00702426

Type: Neutral
Formula: C₂₆H₂₄N₂O

SMILES:

O=C(Nc1ccccc1C(C)C)c1cc(nc2c1cccc2)-c1ccc(cc1)C

InChI:

InChI=1/C26H24N2O/c1-17(2)20-8-4-6-10-23(20)28-26(29)22-16-25(19-14-12-18(3)13-15-19)27-24-11-7-5-9-21(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)=132.064 kcal/mol

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

Topological Properties
Globularity: 0.0436969	Sterimol/B1: 2.36835	Sterimol/B2: 2.80632	Sterimol/B3: 4.37261
Sterimol/B4: 11.6718	Sterimol/L: 16.8047

Surface and Volume Properties
Accessible surface: 675.938	Positive charged surface: 381.444	Negative charged surface: 283.866	Volume: 387.875
Hydrophobic surface: 598.588	Hydrophilic surface: 77.35

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.