MMsINC Database Search


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MMsINC code: MMs02346706

Type: Neutral
Formula: C₂₆H₂₄N₂O

SMILES:

O1c2c(c3c(cc2)cccc3)C(NC1c1ccc(N(C)C)cc1)c1ccccc1

InChI:

InChI=1/C26H24N2O/c1-28(2)21-15-12-20(13-16-21)26-27-25(19-9-4-3-5-10-19)24-22-11-7-6-8-18(22)14-17-23(24)29-26/h3-17,25-27H,1-2H3/t25-,26+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.091 kcal/mol

Physical Properties
Molecular Weight: 380.491 g/mol	logS: -6.54642	SlogP: 5.867	Reactive groups: 0

Topological Properties
Globularity: 0.0994026	Sterimol/B1: 3.30465	Sterimol/B2: 4.73717	Sterimol/B3: 5.32704
Sterimol/B4: 6.3396	Sterimol/L: 18.1634

Surface and Volume Properties
Accessible surface: 651.725	Positive charged surface: 412.138	Negative charged surface: 231.543	Volume: 386.375
Hydrophobic surface: 631.437	Hydrophilic surface: 20.288

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.