MMsINC Database Search


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MMsINC code: MMs00191906

Type: Neutral
Formula: C₂₁H₂₄N₂O₅

SMILES:

O(C)c1cccc(OC)c1C(=O)N1CCN(CC1)C(=O)c1cc(OC)ccc1

InChI:

InChI=1/C21H24N2O5/c1-26-16-7-4-6-15(14-16)20(24)22-10-12-23(13-11-22)21(25)19-17(27-2)8-5-9-18(19)28-3/h4-9,14H,10-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.018 kcal/mol

Physical Properties
Molecular Weight: 384.432 g/mol	logS: -3.55948	SlogP: 2.3106	Reactive groups: 0

Topological Properties
Globularity: 0.0843003	Sterimol/B1: 2.70303	Sterimol/B2: 4.6966	Sterimol/B3: 6.28532
Sterimol/B4: 6.80324	Sterimol/L: 17.5792

Surface and Volume Properties
Accessible surface: 650.257	Positive charged surface: 484.783	Negative charged surface: 165.474	Volume: 365.75
Hydrophobic surface: 573.381	Hydrophilic surface: 76.876

Pharmacophoric Properties
Hydrogen bond donors: 0	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.