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MMsINC code: MMs02384317

Type: Neutral
Formula: C₂₆H₄₆N₂O

SMILES:

O(C)c1cc2CCCN(c2cc1)CCCCCCCCCCN(CCCC)CC

InChI:

InChI=1/C26H46N2O/c1-4-6-19-27(5-2)20-13-11-9-7-8-10-12-14-21-28-22-15-16-24-23-25(29-3)17-18-26(24)28/h17-18,23H,4-16,19-22H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.758 kcal/mol

Physical Properties
Molecular Weight: 402.667 g/mol	logS: -5.88557	SlogP: 6.69057	Reactive groups: 0

Topological Properties
Globularity: 0.0386771	Sterimol/B1: 2.50393	Sterimol/B2: 2.8696	Sterimol/B3: 6.84704
Sterimol/B4: 7.45732	Sterimol/L: 25.6684

Surface and Volume Properties
Accessible surface: 850.221	Positive charged surface: 691.996	Negative charged surface: 158.225	Volume: 464.875
Hydrophobic surface: 783.02	Hydrophilic surface: 67.201

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: 0

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Ions/Tautomers related molecules

MMs02384318
NCID-ZINC04366809