MMsINC Database Search


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MMsINC code: MMs00287315

Type: Neutral
Formula: C₂₆H₃₀N₂O

SMILES:

O(CCCCC)c1ccc(cc1)C1N(CCN1c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H30N2O/c1-2-3-10-21-29-25-17-15-22(16-18-25)26-27(23-11-6-4-7-12-23)19-20-28(26)24-13-8-5-9-14-24/h4-9,11-18,26H,2-3,10,19-21H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=233.966 kcal/mol

Physical Properties
Molecular Weight: 386.539 g/mol	logS: -6.44131	SlogP: 6.3765	Reactive groups: 0

Topological Properties
Globularity: 0.0740913	Sterimol/B1: 4.11755	Sterimol/B2: 4.51509	Sterimol/B3: 4.78691
Sterimol/B4: 8.14449	Sterimol/L: 19.5713

Surface and Volume Properties
Accessible surface: 682.379	Positive charged surface: 469.926	Negative charged surface: 212.452	Volume: 408.125
Hydrophobic surface: 635.83	Hydrophilic surface: 46.549

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.