MMsINC Database Search


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MMsINC code: MMs01173021

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(C)c1ccc(cc1C)-c1c2c(cncc2)c(cc1)CNC(=O)COc1ccccc1

InChI:

InChI=1/C26H24N2O3/c1-18-14-19(9-11-25(18)30-2)22-10-8-20(24-16-27-13-12-23(22)24)15-28-26(29)17-31-21-6-4-3-5-7-21/h3-14,16H,15,17H2,1-2H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.56 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -6.6327	SlogP: 5.18042	Reactive groups: 0

Topological Properties
Globularity: 0.0540376	Sterimol/B1: 2.57101	Sterimol/B2: 2.9295	Sterimol/B3: 6.3369
Sterimol/B4: 6.68781	Sterimol/L: 22.4895

Surface and Volume Properties
Accessible surface: 728.779	Positive charged surface: 480.98	Negative charged surface: 235.695	Volume: 409.125
Hydrophobic surface: 650.268	Hydrophilic surface: 78.511

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.