MMsINC Database Search


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MMsINC code: MMs01003743

Type: Neutral
Formula: C₂₇H₂₆N₂O

SMILES:

O(C)c1ccc(cc1C)C(c1c2c([nH]c1C)cccc2)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C27H26N2O/c1-16-15-19(13-14-24(16)30-4)27(25-17(2)28-22-11-7-5-9-20(22)25)26-18(3)29-23-12-8-6-10-21(23)26/h5-15,27-29H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.321 kcal/mol

Physical Properties
Molecular Weight: 394.518 g/mol	logS: -6.2477	SlogP: 6.76326	Reactive groups: 0

Topological Properties
Globularity: 0.440839	Sterimol/B1: 2.58537	Sterimol/B2: 4.64794	Sterimol/B3: 7.10032
Sterimol/B4: 7.88697	Sterimol/L: 12.9707

Surface and Volume Properties
Accessible surface: 642.906	Positive charged surface: 420.68	Negative charged surface: 220.549	Volume: 403.25
Hydrophobic surface: 587.99	Hydrophilic surface: 54.916

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.