MMsINC Database Search


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MMsINC code: MMs02724417

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cccc2)c(C(=O)NCc2ccc(OC)cc2)c1C

InChI:

InChI=1/C26H24N2O3/c1-17-24(26(29)27-16-18-8-12-20(30-2)13-9-18)22-6-4-5-7-23(22)28-25(17)19-10-14-21(31-3)15-11-19/h4-15H,16H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.579 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -6.54386	SlogP: 5.42382	Reactive groups: 0

Topological Properties
Globularity: 0.0677832	Sterimol/B1: 3.27978	Sterimol/B2: 4.22893	Sterimol/B3: 5.46581
Sterimol/B4: 8.4492	Sterimol/L: 20.3434

Surface and Volume Properties
Accessible surface: 714.717	Positive charged surface: 459.15	Negative charged surface: 249.098	Volume: 404
Hydrophobic surface: 637.442	Hydrophilic surface: 77.275

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.