MMsINC Database Search


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MMsINC code: MMs01058750

Type: Neutral
Formula: C₂₄H₂₇N₃O₄

SMILES:

O(C)c1ccc(N2C(=O)c3n(c4c(cc(OC)cc4)c3N(CCC(C)C)C2=O)C)cc1

InChI:

InChI=1/C24H27N3O4/c1-15(2)12-13-26-21-19-14-18(31-5)10-11-20(19)25(3)22(21)23(28)27(24(26)29)16-6-8-17(30-4)9-7-16/h6-11,14-15H,12-13H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.005 kcal/mol

Physical Properties
Molecular Weight: 421.497 g/mol	logS: -5.54679	SlogP: 5.1876	Reactive groups: 0

Topological Properties
Globularity: 0.0555356	Sterimol/B1: 2.77019	Sterimol/B2: 3.67743	Sterimol/B3: 4.47305
Sterimol/B4: 9.43093	Sterimol/L: 19.9953

Surface and Volume Properties
Accessible surface: 695.722	Positive charged surface: 498.538	Negative charged surface: 192.247	Volume: 411.625
Hydrophobic surface: 588.849	Hydrophilic surface: 106.873

Pharmacophoric Properties
Hydrogen bond donors: 0	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.