MMsINC Database Search


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MMsINC code: MMs00200914

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(C)c1ccc(cc1)C(NC(=O)c1ccccc1)c1ccc2c(nccc2)c1O

InChI:

InChI=1/C24H20N2O3/c1-29-19-12-9-17(10-13-19)21(26-24(28)18-6-3-2-4-7-18)20-14-11-16-8-5-15-25-22(16)23(20)27/h2-15,21,27H,1H3,(H,26,28)/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.212 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -5.34378	SlogP: 4.5639	Reactive groups: 0

Topological Properties
Globularity: 0.185773	Sterimol/B1: 2.49556	Sterimol/B2: 3.12662	Sterimol/B3: 5.30751
Sterimol/B4: 12.1116	Sterimol/L: 15.8455

Surface and Volume Properties
Accessible surface: 655.838	Positive charged surface: 401.766	Negative charged surface: 248.903	Volume: 370.625
Hydrophobic surface: 565.313	Hydrophilic surface: 90.525

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.