MMsINC Database Search


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MMsINC code: MMs02787482

Type: Neutral
Formula: C₂₄H₂₂N₂O₄

SMILES:

o1c2c(nc1-c1cc(NC(=O)COc3ccc(OC)cc3)ccc1)cc(cc2)CC

InChI:

InChI=1/C24H22N2O4/c1-3-16-7-12-22-21(13-16)26-24(30-22)17-5-4-6-18(14-17)25-23(27)15-29-20-10-8-19(28-2)9-11-20/h4-14H,3,15H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.051 kcal/mol

Physical Properties
Molecular Weight: 402.45 g/mol	logS: -7.78688	SlogP: 5.08327	Reactive groups: 0

Topological Properties
Globularity: 0.0142614	Sterimol/B1: 2.16822	Sterimol/B2: 3.06231	Sterimol/B3: 4.23956
Sterimol/B4: 9.02842	Sterimol/L: 23.4665

Surface and Volume Properties
Accessible surface: 729.74	Positive charged surface: 469.304	Negative charged surface: 260.435	Volume: 388.25
Hydrophobic surface: 603.113	Hydrophilic surface: 126.627

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.