MMsINC Database Search


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MMsINC code: MMs03550577

Type: Neutral
Formula: C₂₄H₃₀N₂O₄

SMILES:

O(C)c1ccc(cc1)CCC(=O)N1CCN(CC1)C(=O)CCc1ccc(OC)cc1

InChI:

InChI=1/C24H30N2O4/c1-29-21-9-3-19(4-10-21)7-13-23(27)25-15-17-26(18-16-25)24(28)14-8-20-5-11-22(30-2)12-6-20/h3-6,9-12H,7-8,13-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.3009 kcal/mol

Physical Properties
Molecular Weight: 410.514 g/mol	logS: -3.39588	SlogP: 2.93994	Reactive groups: 0

Topological Properties
Globularity: 0.0433214	Sterimol/B1: 2.42178	Sterimol/B2: 3.52877	Sterimol/B3: 4.67879
Sterimol/B4: 10.0503	Sterimol/L: 20.7261

Surface and Volume Properties
Accessible surface: 751.655	Positive charged surface: 554.568	Negative charged surface: 197.087	Volume: 412.5
Hydrophobic surface: 669.018	Hydrophilic surface: 82.637

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.