MMsINC Database Search


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MMsINC code: MMs01499065

Type: Neutral
Formula: C₂₄H₂₆N₂O₄

SMILES:

O(C(=O)c1c2CCCc2nc2c1cccc2)CC(=O)c1cc(n(CCOC)c1C)C

InChI:

InChI=1/C24H26N2O4/c1-15-13-19(16(2)26(15)11-12-29-3)22(27)14-30-24(28)23-17-7-4-5-9-20(17)25-21-10-6-8-18(21)23/h4-5,7,9,13H,6,8,10-12,14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.717 kcal/mol

Physical Properties
Molecular Weight: 406.482 g/mol	logS: -4.13464	SlogP: 4.09428	Reactive groups: 0

Topological Properties
Globularity: 0.0679276	Sterimol/B1: 2.23132	Sterimol/B2: 4.57607	Sterimol/B3: 6.66051
Sterimol/B4: 7.34773	Sterimol/L: 20.2116

Surface and Volume Properties
Accessible surface: 724.585	Positive charged surface: 484.146	Negative charged surface: 235.051	Volume: 402.25
Hydrophobic surface: 627.411	Hydrophilic surface: 97.174

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.