MMsINC Database Search


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MMsINC code: MMs00937296

Type: Neutral
Formula: C₂₃H₂₆N₂O₄

SMILES:

O(C)c1cc2c(cc1OC)C(=O)N(C=C2C(=O)N(CC)c1ccc(cc1)CC)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.345 kcal/mol

Physical Properties
Molecular Weight: 394.471 g/mol	logS: -5.13713	SlogP: 3.74577	Reactive groups: 0

Topological Properties
Globularity: 0.0822345	Sterimol/B1: 3.75873	Sterimol/B2: 4.65381	Sterimol/B3: 4.76197
Sterimol/B4: 7.73514	Sterimol/L: 17.6952

Surface and Volume Properties
Accessible surface: 668.492	Positive charged surface: 488.371	Negative charged surface: 180.121	Volume: 383.5
Hydrophobic surface: 556.854	Hydrophilic surface: 111.638

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.