MMsINC Database Search


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MMsINC code: MMs00623236

Type: Neutral
Formula: C₁₅H₂₂N₂O₂

SMILES:

O=C(Nc1ccc(NC(=O)C(C)C)cc1)C(C)(C)C

InChI:

InChI=1/C15H22N2O2/c1-10(2)13(18)16-11-6-8-12(9-7-11)17-14(19)15(3,4)5/h6-10H,1-5H3,(H,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.7979 kcal/mol

Physical Properties
Molecular Weight: 262.353 g/mol	logS: -2.81263	SlogP: 3.2657	Reactive groups: 0

Topological Properties
Globularity: 0.0479859	Sterimol/B1: 2.66186	Sterimol/B2: 2.9242	Sterimol/B3: 3.84941
Sterimol/B4: 4.93764	Sterimol/L: 16.5822

Surface and Volume Properties
Accessible surface: 530.374	Positive charged surface: 349.94	Negative charged surface: 180.434	Volume: 272.25
Hydrophobic surface: 382.385	Hydrophilic surface: 147.989

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.