MMsINC Database Search


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MMsINC code: MMs03360694

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

O(C)c1ccc(cc1)CC(=O)NNC(=O)C(C)(C)C

InChI:

InChI=1/C14H20N2O3/c1-14(2,3)13(18)16-15-12(17)9-10-5-7-11(19-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17)(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.6235 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -2.54002	SlogP: 1.43117	Reactive groups: 0

Topological Properties
Globularity: 0.0613021	Sterimol/B1: 3.15648	Sterimol/B2: 3.8604	Sterimol/B3: 4.10686
Sterimol/B4: 4.14452	Sterimol/L: 17.4714

Surface and Volume Properties
Accessible surface: 535.591	Positive charged surface: 363.201	Negative charged surface: 172.389	Volume: 267.25
Hydrophobic surface: 386.901	Hydrophilic surface: 148.69

Pharmacophoric Properties
Hydrogen bond donors: 2	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.