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MMsINC code: MMs00861442

Type: Neutral
Formula: C₂₆H₃₁N₃O

SMILES:

O(CC)c1ccccc1CNc1ccc(N2CCN(CC2)Cc2ccccc2)cc1

InChI:

InChI=1/C26H31N3O/c1-2-30-26-11-7-6-10-23(26)20-27-24-12-14-25(15-13-24)29-18-16-28(17-19-29)21-22-8-4-3-5-9-22/h3-15,27H,2,16-21H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=174.172 kcal/mol

Physical Properties
Molecular Weight: 401.554 g/mol	logS: -5.06887	SlogP: 5.5524	Reactive groups: 0

Topological Properties
Globularity: 0.0449554	Sterimol/B1: 2.47831	Sterimol/B2: 3.2611	Sterimol/B3: 4.6839
Sterimol/B4: 8.3213	Sterimol/L: 21.0793

Surface and Volume Properties
Accessible surface: 749.829	Positive charged surface: 513.761	Negative charged surface: 236.068	Volume: 421.25
Hydrophobic surface: 690.348	Hydrophilic surface: 59.481

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

MMs00861443
CHEMDIV-ZINC01004714