MMsINC Database Search


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MMsINC code: MMs02322801

Type: Neutral
Formula: C₁₅H₂₀N₂O₅

SMILES:

O(C)c1ccc(cc1)CCC1(NC(=O)NC1=O)C(OC)OC

InChI:

InChI=1/C15H20N2O5/c1-20-11-6-4-10(5-7-11)8-9-15(13(21-2)22-3)12(18)16-14(19)17-15/h4-7,13H,8-9H2,1-3H3,(H2,16,17,18,19)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.4632 kcal/mol

Physical Properties
Molecular Weight: 308.334 g/mol	logS: -2.38801	SlogP: 0.82487	Reactive groups: 0

Topological Properties
Globularity: 0.10189	Sterimol/B1: 3.33868	Sterimol/B2: 3.99654	Sterimol/B3: 4.76321
Sterimol/B4: 6.19	Sterimol/L: 16.5358

Surface and Volume Properties
Accessible surface: 551.091	Positive charged surface: 397.268	Negative charged surface: 153.823	Volume: 285.25
Hydrophobic surface: 402.495	Hydrophilic surface: 148.596

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.