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MMsINC code: MMs03892270

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

O(C(=O)Cc1c2c([nH]c1)cccc2)CC(=O)N(CC)c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H22N2O3/c1-2-26(22-13-7-9-17-8-3-4-11-20(17)22)23(27)16-29-24(28)14-18-15-25-21-12-6-5-10-19(18)21/h3-13,15,25H,2,14,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.155 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -6.21351	SlogP: 4.45987	Reactive groups: 1

Topological Properties
Globularity: 0.0634993	Sterimol/B1: 2.55673	Sterimol/B2: 4.32061	Sterimol/B3: 5.39657
Sterimol/B4: 6.14217	Sterimol/L: 18.8921

Surface and Volume Properties
Accessible surface: 664.905	Positive charged surface: 389.991	Negative charged surface: 263.879	Volume: 378.375
Hydrophobic surface: 542.113	Hydrophilic surface: 122.792

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.