MMsINC Database Search


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MMsINC code: MMs02105038

Type: Neutral
Formula: C₁₅H₂₀N₂O₄

SMILES:

O(Cc1ccccc1)C(=O)N1CCC(CC1)C(=O)NOC

InChI:

InChI=1/C15H20N2O4/c1-20-16-14(18)13-7-9-17(10-8-13)15(19)21-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.1437 kcal/mol

Physical Properties
Molecular Weight: 292.335 g/mol	logS: -2.23783	SlogP: 1.9792	Reactive groups: 0

Topological Properties
Globularity: 0.0593049	Sterimol/B1: 2.26012	Sterimol/B2: 3.51212	Sterimol/B3: 3.64061
Sterimol/B4: 7.58082	Sterimol/L: 16.7367

Surface and Volume Properties
Accessible surface: 569.961	Positive charged surface: 405.879	Negative charged surface: 164.082	Volume: 281.5
Hydrophobic surface: 469.897	Hydrophilic surface: 100.064

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.