MMsINC Database Search


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MMsINC code: MMs01159145

Type: Neutral
Formula: C₂₁H₂₄N₂O₄

SMILES:

O1CC(=O)N(c2cc(ccc12)C)Cc1cc(ccc1)C(=O)NCCCOC

InChI:

InChI=1/C21H24N2O4/c1-15-7-8-19-18(11-15)23(20(24)14-27-19)13-16-5-3-6-17(12-16)21(25)22-9-4-10-26-2/h3,5-8,11-12H,4,9-10,13-14H2,1-2H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3802 kcal/mol

Physical Properties
Molecular Weight: 368.433 g/mol	logS: -4.41256	SlogP: 2.95332	Reactive groups: 0

Topological Properties
Globularity: 0.066475	Sterimol/B1: 2.43409	Sterimol/B2: 2.50836	Sterimol/B3: 5.5778
Sterimol/B4: 9.81031	Sterimol/L: 19.0153

Surface and Volume Properties
Accessible surface: 654.906	Positive charged surface: 460.542	Negative charged surface: 194.364	Volume: 361.875
Hydrophobic surface: 554.498	Hydrophilic surface: 100.408

Pharmacophoric Properties
Hydrogen bond donors: 1	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.