MMsINC Database Search


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MMsINC code: MMs00907757

Type: Neutral
Formula: C₂₆H₂₄N₂O

SMILES:

O=C(NCc1ccc(cc1)C)c1cc(nc2c1cccc2)-c1cc(C)c(cc1)C

InChI:

InChI=1/C26H24N2O/c1-17-8-11-20(12-9-17)16-27-26(29)23-15-25(21-13-10-18(2)19(3)14-21)28-24-7-5-4-6-22(23)24/h4-15H,16H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.014 kcal/mol

Physical Properties
Molecular Weight: 380.491 g/mol	logS: -7.70439	SlogP: 6.02346	Reactive groups: 0

Topological Properties
Globularity: 0.0347207	Sterimol/B1: 3.51915	Sterimol/B2: 3.833	Sterimol/B3: 4.14127
Sterimol/B4: 10.9336	Sterimol/L: 16.993

Surface and Volume Properties
Accessible surface: 699.935	Positive charged surface: 401.595	Negative charged surface: 288.709	Volume: 391.125
Hydrophobic surface: 641.148	Hydrophilic surface: 58.787

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.