MMsINC Database Search


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MMsINC code: MMs03128590

Type: Neutral
Formula: C₂₄H₃₃N₃O₄

SMILES:

O(C)c1cc(OC)ccc1C(=O)N(CC=C)CC(=O)N(Cc1n(ccc1)C)CC(C)C

InChI:

InChI=1/C24H33N3O4/c1-7-12-26(24(29)21-11-10-20(30-5)14-22(21)31-6)17-23(28)27(15-18(2)3)16-19-9-8-13-25(19)4/h7-11,13-14,18H,1,12,15-17H2,2-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=176.052 kcal/mol

Physical Properties
Molecular Weight: 427.545 g/mol	logS: -3.07739	SlogP: 3.9809	Reactive groups: 0

Topological Properties
Globularity: 0.10333	Sterimol/B1: 2.21151	Sterimol/B2: 3.9436	Sterimol/B3: 5.9249
Sterimol/B4: 10.4049	Sterimol/L: 16.8438

Surface and Volume Properties
Accessible surface: 699.792	Positive charged surface: 493.299	Negative charged surface: 206.493	Volume: 430.5
Hydrophobic surface: 536.234	Hydrophilic surface: 163.558

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.