MMsINC Database Search


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MMsINC code: MMs00657275

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O(Cc1ccccc1)c1ccc(cc1)CC1C(=O)N(C)C(=O)N(C)C1=O

InChI:

InChI=1/C20H20N2O4/c1-21-18(23)17(19(24)22(2)20(21)25)12-14-8-10-16(11-9-14)26-13-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.5985 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -3.71994	SlogP: 2.74107	Reactive groups: 0

Topological Properties
Globularity: 0.0369351	Sterimol/B1: 3.06548	Sterimol/B2: 3.35796	Sterimol/B3: 3.74344
Sterimol/B4: 5.75266	Sterimol/L: 19.4609

Surface and Volume Properties
Accessible surface: 614.358	Positive charged surface: 407.815	Negative charged surface: 206.543	Volume: 333.75
Hydrophobic surface: 522.638	Hydrophilic surface: 91.72

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.