MMsINC Database Search


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MMsINC code: MMs00983938

Type: Neutral
Formula: C₂₄H₂₆N₂O₄

SMILES:

O(C)c1ccccc1NC(=O)Cn1c(-c2ccccc2)c(C)c(C(OCC)=O)c1C

InChI:

InChI=1/C24H26N2O4/c1-5-30-24(28)22-16(2)23(18-11-7-6-8-12-18)26(17(22)3)15-21(27)25-19-13-9-10-14-20(19)29-4/h6-14H,5,15H2,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.51 kcal/mol

Physical Properties
Molecular Weight: 406.482 g/mol	logS: -5.3469	SlogP: 4.86234	Reactive groups: 0

Topological Properties
Globularity: 0.107516	Sterimol/B1: 2.43846	Sterimol/B2: 2.58492	Sterimol/B3: 6.17228
Sterimol/B4: 10.2797	Sterimol/L: 17.4357

Surface and Volume Properties
Accessible surface: 717.02	Positive charged surface: 459.653	Negative charged surface: 257.367	Volume: 402.5
Hydrophobic surface: 625.441	Hydrophilic surface: 91.579

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.