MMsINC Database Search


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MMsINC code: MMs00940132

Type: Neutral
Formula: C₂₄H₂₂N₂O₅

SMILES:

O(C)c1cc(NC(=O)CN2c3c(cc(OC)cc3)C(=O)c3c2cccc3)ccc1OC

InChI:

InChI=1/C24H22N2O5/c1-29-16-9-10-20-18(13-16)24(28)17-6-4-5-7-19(17)26(20)14-23(27)25-15-8-11-21(30-2)22(12-15)31-3/h4-13H,14H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.056 kcal/mol

Physical Properties
Molecular Weight: 418.449 g/mol	logS: -5.71103	SlogP: 4.0336	Reactive groups: 0

Topological Properties
Globularity: 0.111125	Sterimol/B1: 2.2519	Sterimol/B2: 3.60293	Sterimol/B3: 5.14638
Sterimol/B4: 11.597	Sterimol/L: 16.3173

Surface and Volume Properties
Accessible surface: 694.459	Positive charged surface: 491.182	Negative charged surface: 203.276	Volume: 390.75
Hydrophobic surface: 592.892	Hydrophilic surface: 101.567

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.