MMsINC Database Search


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MMsINC code: MMs01934535

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(C)c1cc(N(C(=O)c2ccccc2C)CC2=Cc3c(NC2=O)c(ccc3)C)ccc1

InChI:

InChI=1/C26H24N2O3/c1-17-8-4-5-13-23(17)26(30)28(21-11-7-12-22(15-21)31-3)16-20-14-19-10-6-9-18(2)24(19)27-25(20)29/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)=172.343 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -6.56789	SlogP: 4.99454	Reactive groups: 0

Topological Properties
Globularity: 0.17492	Sterimol/B1: 2.03545	Sterimol/B2: 4.18457	Sterimol/B3: 6.48256
Sterimol/B4: 9.94186	Sterimol/L: 16.1476

Surface and Volume Properties
Accessible surface: 660.482	Positive charged surface: 422.072	Negative charged surface: 238.41	Volume: 402.625
Hydrophobic surface: 610.016	Hydrophilic surface: 50.466

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.