MMsINC Database Search


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MMsINC code: MMs02063575

Type: Neutral
Formula: C₂₄H₂₁N₃O₃

SMILES:

O(C)c1cc(ccc1)C(=O)Nc1ccc(N2C(=Nc3c(cccc3)C2=O)C)cc1C

InChI:

InChI=1/C24H21N3O3/c1-15-13-18(27-16(2)25-22-10-5-4-9-20(22)24(27)29)11-12-21(15)26-23(28)17-7-6-8-19(14-17)30-3/h4-14H,1-3H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.929 kcal/mol

Physical Properties
Molecular Weight: 399.45 g/mol	logS: -6.09752	SlogP: 4.96622	Reactive groups: 0

Topological Properties
Globularity: 0.0265785	Sterimol/B1: 2.32802	Sterimol/B2: 2.37876	Sterimol/B3: 5.14392
Sterimol/B4: 7.20778	Sterimol/L: 21.6058

Surface and Volume Properties
Accessible surface: 679.196	Positive charged surface: 411.141	Negative charged surface: 268.055	Volume: 381.625
Hydrophobic surface: 590.98	Hydrophilic surface: 88.216

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.