MMsINC Database Search


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MMsINC code: MMs01030957

Type: Neutral
Formula: C₂₆H₂₆N₂O₂

SMILES:

OC(=O)c1n(c2c(cccc2)c1CNCc1ccccc1)Cc1cc(ccc1C)C

InChI:

InChI=1/C26H26N2O2/c1-18-12-13-19(2)21(14-18)17-28-24-11-7-6-10-22(24)23(25(28)26(29)30)16-27-15-20-8-4-3-5-9-20/h3-14,27H,15-17H2,1-2H3,(H,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.136 kcal/mol

Physical Properties
Molecular Weight: 398.506 g/mol	logS: -5.91525	SlogP: 6.09364	Reactive groups: 0

Topological Properties
Globularity: 0.191898	Sterimol/B1: 2.18153	Sterimol/B2: 4.10752	Sterimol/B3: 5.23302
Sterimol/B4: 10.9577	Sterimol/L: 15.3903

Surface and Volume Properties
Accessible surface: 683.62	Positive charged surface: 402.39	Negative charged surface: 276.574	Volume: 404
Hydrophobic surface: 586.153	Hydrophilic surface: 97.467

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.