MMsINC Database Search


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MMsINC code: MMs00911911

Type: Neutral
Formula: C₂₀H₂₆N₂O₄

SMILES:

O1c2cc(ccc2OC1)C(=O)NC1(CCCCC1)C(=O)NC1CCCC1

InChI:

InChI=1/C20H26N2O4/c23-18(14-8-9-16-17(12-14)26-13-25-16)22-20(10-4-1-5-11-20)19(24)21-15-6-2-3-7-15/h8-9,12,15H,1-7,10-11,13H2,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.1019 kcal/mol

Physical Properties
Molecular Weight: 358.438 g/mol	logS: -4.08574	SlogP: 2.9068	Reactive groups: 0

Topological Properties
Globularity: 0.170437	Sterimol/B1: 2.82123	Sterimol/B2: 4.79778	Sterimol/B3: 5.67108
Sterimol/B4: 7.84676	Sterimol/L: 13.9756

Surface and Volume Properties
Accessible surface: 599.258	Positive charged surface: 426.933	Negative charged surface: 172.324	Volume: 344.25
Hydrophobic surface: 509.214	Hydrophilic surface: 90.044

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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: no related molecules available.