MMsINC Database Search


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MMsINC code: MMs01574568

Type: Neutral
Formula: C₂₃H₂₆N₂O₅

SMILES:

o1cccc1C(=O)N1CCN(CC1)C(=O)COC(=O)C1(CCCC1)c1ccccc1

InChI:

InChI=1/C23H26N2O5/c26-20(24-12-14-25(15-13-24)21(27)19-9-6-16-29-19)17-30-22(28)23(10-4-5-11-23)18-7-2-1-3-8-18/h1-3,6-9,16H,4-5,10-15,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.135 kcal/mol

Physical Properties
Molecular Weight: 410.47 g/mol	logS: -4.96149	SlogP: 2.6192	Reactive groups: 0

Topological Properties
Globularity: 0.0506403	Sterimol/B1: 2.55195	Sterimol/B2: 3.00165	Sterimol/B3: 4.32806
Sterimol/B4: 8.23266	Sterimol/L: 19.7773

Surface and Volume Properties
Accessible surface: 693.021	Positive charged surface: 439.99	Negative charged surface: 253.032	Volume: 390.25
Hydrophobic surface: 605.24	Hydrophilic surface: 87.781

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.