MMsINC Database Search


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MMsINC code: MMs01079915

Type: Neutral
Formula: C₂₆H₃₂N₂O₂

SMILES:

o1c2c(nc1CCCCc1oc3c(n1)cc(cc3)C(C)(C)C)cc(cc2)C(C)(C)C

InChI:

InChI=1/C26H32N2O2/c1-25(2,3)17-11-13-21-19(15-17)27-23(29-21)9-7-8-10-24-28-20-16-18(26(4,5)6)12-14-22(20)30-24/h11-16H,7-10H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.535 kcal/mol

Physical Properties
Molecular Weight: 404.554 g/mol	logS: -8.61564	SlogP: 7.12934	Reactive groups: 0

Topological Properties
Globularity: 0.021081	Sterimol/B1: 3.3766	Sterimol/B2: 4.06606	Sterimol/B3: 4.11338
Sterimol/B4: 4.42013	Sterimol/L: 24.4189

Surface and Volume Properties
Accessible surface: 764.108	Positive charged surface: 523.145	Negative charged surface: 240.963	Volume: 421.25
Hydrophobic surface: 575.772	Hydrophilic surface: 188.336

Pharmacophoric Properties
Hydrogen bond donors: 0	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.