MMsINC Database Search


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MMsINC code: MMs02799618

Type: Neutral
Formula: C₂₄H₂₃N₃O₄

SMILES:

O1CC(=O)N(c2c1cccc2)CC(=O)N(Cc1ccc(OC)cc1)Cc1ccncc1

InChI:

InChI=1/C24H23N3O4/c1-30-20-8-6-18(7-9-20)14-26(15-19-10-12-25-13-11-19)23(28)16-27-21-4-2-3-5-22(21)31-17-24(27)29/h2-13H,14-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.011 kcal/mol

Physical Properties
Molecular Weight: 417.465 g/mol	logS: -4.07482	SlogP: 3.5774	Reactive groups: 0

Topological Properties
Globularity: 0.114508	Sterimol/B1: 3.39958	Sterimol/B2: 4.10191	Sterimol/B3: 4.35193
Sterimol/B4: 10.5463	Sterimol/L: 15.6908

Surface and Volume Properties
Accessible surface: 681.007	Positive charged surface: 461.699	Negative charged surface: 219.308	Volume: 396.75
Hydrophobic surface: 578.913	Hydrophilic surface: 102.094

Pharmacophoric Properties
Hydrogen bond donors: 0	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.