MMsINC Database Search


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MMsINC code: MMs00701813

Type: Neutral
Formula: C₂₆H₂₄N₂O

SMILES:

O=C(Nc1c(cccc1C)C)c1c2c(nc(-c3ccc(cc3)C)c1C)cccc2

InChI:

InChI=1/C26H24N2O/c1-16-12-14-20(15-13-16)25-19(4)23(21-10-5-6-11-22(21)27-25)26(29)28-24-17(2)8-7-9-18(24)3/h5-15H,1-4H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=165.064 kcal/mol

Physical Properties
Molecular Weight: 380.491 g/mol	logS: -7.29392	SlogP: 6.38778	Reactive groups: 0

Topological Properties
Globularity: 0.0638411	Sterimol/B1: 3.248	Sterimol/B2: 3.69134	Sterimol/B3: 4.23198
Sterimol/B4: 9.56893	Sterimol/L: 17.4584

Surface and Volume Properties
Accessible surface: 651.967	Positive charged surface: 366.427	Negative charged surface: 277.731	Volume: 388.5
Hydrophobic surface: 608.288	Hydrophilic surface: 43.679

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.