MMsINC Database Search


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MMsINC code: MMs00210161

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1ccc(OCC)cc1

InChI:

InChI=1/C26H24N2O3/c1-3-30-20-13-9-18(10-14-20)25-17-23(22-7-5-6-8-24(22)28-25)26(29)27-19-11-15-21(16-12-19)31-4-2/h5-17H,3-4H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.117 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -7.09377	SlogP: 5.9515	Reactive groups: 0

Topological Properties
Globularity: 0.0115402	Sterimol/B1: 2.56025	Sterimol/B2: 2.74272	Sterimol/B3: 3.2515
Sterimol/B4: 12.3824	Sterimol/L: 21.3392

Surface and Volume Properties
Accessible surface: 736.49	Positive charged surface: 451.301	Negative charged surface: 274.361	Volume: 404.875
Hydrophobic surface: 630.305	Hydrophilic surface: 106.185

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.