MMsINC Database Search


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MMsINC code: MMs03184880

Type: Neutral
Formula: C₂₄H₃₅N₃O₄

SMILES:

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

InChI:

InChI=1/C24H35N3O4/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/h8-11,13-14,18H,7,12,15-17H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.563 kcal/mol

Physical Properties
Molecular Weight: 429.561 g/mol	logS: -3.11014	SlogP: 4.2049	Reactive groups: 0

Topological Properties
Globularity: 0.155272	Sterimol/B1: 2.28767	Sterimol/B2: 2.41819	Sterimol/B3: 7.71884
Sterimol/B4: 10.1561	Sterimol/L: 17.1637

Surface and Volume Properties
Accessible surface: 746.845	Positive charged surface: 550.386	Negative charged surface: 196.459	Volume: 441.625
Hydrophobic surface: 610.048	Hydrophilic surface: 136.797

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.