MMsINC Database Search


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MMsINC code: MMs02364810

Type: Neutral
Formula: C₁₅H₂₀N₂O₄

SMILES:

O(C(=O)NC1CCCCC1)c1cc(NC(OC)=O)ccc1

InChI:

InChI=1/C15H20N2O4/c1-20-14(18)17-12-8-5-9-13(10-12)21-15(19)16-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,16,19)(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.7211 kcal/mol

Physical Properties
Molecular Weight: 292.335 g/mol	logS: -3.32231	SlogP: 3.286	Reactive groups: 0

Topological Properties
Globularity: 0.0558228	Sterimol/B1: 2.12319	Sterimol/B2: 2.97317	Sterimol/B3: 3.9202
Sterimol/B4: 8.89155	Sterimol/L: 16.0628

Surface and Volume Properties
Accessible surface: 563.028	Positive charged surface: 411.491	Negative charged surface: 151.537	Volume: 279.5
Hydrophobic surface: 447.165	Hydrophilic surface: 115.863

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.