MMsINC Database Search


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MMsINC code: MMs00284738

Type: Neutral
Formula: C₂₀H₂₄N₂O₅

SMILES:

O(C)c1cc(ccc1OC)CCNC(=O)C(=O)Nc1ccc(OCC)cc1

InChI:

InChI=1/C20H24N2O5/c1-4-27-16-8-6-15(7-9-16)22-20(24)19(23)21-12-11-14-5-10-17(25-2)18(13-14)26-3/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.337 kcal/mol

Physical Properties
Molecular Weight: 372.421 g/mol	logS: -4.06726	SlogP: 2.39987	Reactive groups: 0

Topological Properties
Globularity: 0.023107	Sterimol/B1: 2.83578	Sterimol/B2: 3.96604	Sterimol/B3: 4.02366
Sterimol/B4: 5.56531	Sterimol/L: 24.0563

Surface and Volume Properties
Accessible surface: 697.342	Positive charged surface: 501.218	Negative charged surface: 196.124	Volume: 360.625
Hydrophobic surface: 549.104	Hydrophilic surface: 148.238

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.