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MMsINC code: MMs03341475

Type: Neutral
Formula: C₂₀H₂₆N₂O₂

SMILES:

Oc1cc2c(cc1C(=O)NCCCNC1CCCCC1)cccc2

InChI:

InChI=1/C20H26N2O2/c23-19-14-16-8-5-4-7-15(16)13-18(19)20(24)22-12-6-11-21-17-9-2-1-3-10-17/h4-5,7-8,13-14,17,21,23H,1-3,6,9-12H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.9862 kcal/mol

Physical Properties
Molecular Weight: 326.44 g/mol	logS: -4.48679	SlogP: 3.5876	Reactive groups: 0

Topological Properties
Globularity: 0.0210687	Sterimol/B1: 2.53877	Sterimol/B2: 3.17831	Sterimol/B3: 3.59828
Sterimol/B4: 7.64152	Sterimol/L: 20.5403

Surface and Volume Properties
Accessible surface: 630.899	Positive charged surface: 435.192	Negative charged surface: 184.636	Volume: 337.125
Hydrophobic surface: 536.786	Hydrophilic surface: 94.113

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03341476
PUBCHEM-ZINC05669880