MMsINC Database Search


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MMsINC code: MMs00701823

Type: Neutral
Formula: C₂₆H₂₄N₂O

SMILES:

O=C(NC(C)c1ccccc1)c1cc(nc2c1cccc2)-c1cc(C)c(cc1)C

InChI:

InChI=1/C26H24N2O/c1-17-13-14-21(15-18(17)2)25-16-23(22-11-7-8-12-24(22)28-25)26(29)27-19(3)20-9-5-4-6-10-20/h4-16,19H,1-3H3,(H,27,29)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.364 kcal/mol

Physical Properties
Molecular Weight: 380.491 g/mol	logS: -7.55768	SlogP: 6.10514	Reactive groups: 0

Topological Properties
Globularity: 0.0372758	Sterimol/B1: 2.48967	Sterimol/B2: 3.57113	Sterimol/B3: 3.66609
Sterimol/B4: 11.7581	Sterimol/L: 16.4036

Surface and Volume Properties
Accessible surface: 676.015	Positive charged surface: 371.41	Negative charged surface: 294.563	Volume: 393.5
Hydrophobic surface: 615.1	Hydrophilic surface: 60.915

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.