MMsINC Database Search


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MMsINC code: MMs01430970

Type: Neutral
Formula: C₂₀H₂₀N₂O₅

SMILES:

O(C(=O)c1ccc(cc1)CO)CC(=O)Nc1ccccc1C(=O)NC1CC1

InChI:

InChI=1/C20H20N2O5/c23-11-13-5-7-14(8-6-13)20(26)27-12-18(24)22-17-4-2-1-3-16(17)19(25)21-15-9-10-15/h1-8,15,23H,9-12H2,(H,21,25)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.574 kcal/mol

Physical Properties
Molecular Weight: 368.389 g/mol	logS: -4.23257	SlogP: 2.133	Reactive groups: 0

Topological Properties
Globularity: 0.016855	Sterimol/B1: 2.7112	Sterimol/B2: 3.20337	Sterimol/B3: 3.40922
Sterimol/B4: 8.08236	Sterimol/L: 21.0094

Surface and Volume Properties
Accessible surface: 673.481	Positive charged surface: 417.204	Negative charged surface: 256.278	Volume: 346.5
Hydrophobic surface: 460.33	Hydrophilic surface: 213.151

Pharmacophoric Properties
Hydrogen bond donors: 3	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.