MMsINC Database Search


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MMsINC code: MMs00956156

Type: Neutral
Formula: C₂₄H₂₇N₃O₄

SMILES:

O=C1N(CCOC)C(=O)Nc2c1ccc(c2)C(=O)N1CCC(CC1)Cc1ccccc1

InChI:

InChI=1/C24H27N3O4/c1-31-14-13-27-23(29)20-8-7-19(16-21(20)25-24(27)30)22(28)26-11-9-18(10-12-26)15-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3,(H,25,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7044 kcal/mol

Physical Properties
Molecular Weight: 421.497 g/mol	logS: -4.78622	SlogP: 3.41557	Reactive groups: 0

Topological Properties
Globularity: 0.0620413	Sterimol/B1: 1.969	Sterimol/B2: 3.35299	Sterimol/B3: 4.69486
Sterimol/B4: 8.19754	Sterimol/L: 20.6372

Surface and Volume Properties
Accessible surface: 700.205	Positive charged surface: 497.392	Negative charged surface: 202.813	Volume: 406
Hydrophobic surface: 577.064	Hydrophilic surface: 123.141

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.