MMsINC Database Search


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MMsINC code: MMs00937308

Type: Neutral
Formula: C₂₃H₂₆N₂O₄

SMILES:

O(C)c1cc2c(cc1OC)C(=O)N(C=C2C(=O)N(CC)c1cc(ccc1)C)CC

InChI:

InChI=1/C23H26N2O4/c1-6-24-14-19(23(27)25(7-2)16-10-8-9-15(3)11-16)17-12-20(28-4)21(29-5)13-18(17)22(24)26/h8-14H,6-7H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.236 kcal/mol

Physical Properties
Molecular Weight: 394.471 g/mol	logS: -4.94912	SlogP: 3.88192	Reactive groups: 0

Topological Properties
Globularity: 0.161787	Sterimol/B1: 2.51878	Sterimol/B2: 3.13525	Sterimol/B3: 6.5629
Sterimol/B4: 10.9365	Sterimol/L: 15.9351

Surface and Volume Properties
Accessible surface: 661.335	Positive charged surface: 465.774	Negative charged surface: 195.561	Volume: 389.125
Hydrophobic surface: 555.781	Hydrophilic surface: 105.554

Pharmacophoric Properties
Hydrogen bond donors: 0	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.