MMsINC Database Search


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MMsINC code: MMs00907465

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NCc1ccc(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.713 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -6.7106	SlogP: 5.5055	Reactive groups: 0

Topological Properties
Globularity: 0.0451289	Sterimol/B1: 2.28512	Sterimol/B2: 3.3672	Sterimol/B3: 3.8677
Sterimol/B4: 15.0937	Sterimol/L: 15.9555

Surface and Volume Properties
Accessible surface: 743.248	Positive charged surface: 464.811	Negative charged surface: 266.784	Volume: 409.25
Hydrophobic surface: 643.561	Hydrophilic surface: 99.687

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.