MMsINC Database Search


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MMsINC code: MMs02343361

Type: Neutral
Formula: C₁₅H₂₄N₂O₂

SMILES:

OCC(CCN(C)C)(C(=O)N(C)C)c1ccccc1

InChI:

InChI=1/C15H24N2O2/c1-16(2)11-10-15(12-18,14(19)17(3)4)13-8-6-5-7-9-13/h5-9,18H,10-12H2,1-4H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.276 kcal/mol

Physical Properties
Molecular Weight: 264.369 g/mol	logS: -1.13273	SlogP: 0.9566	Reactive groups: 0

Topological Properties
Globularity: 0.29501	Sterimol/B1: 3.90676	Sterimol/B2: 4.113	Sterimol/B3: 4.46546
Sterimol/B4: 6.42583	Sterimol/L: 13.3389

Surface and Volume Properties
Accessible surface: 498.314	Positive charged surface: 402.264	Negative charged surface: 96.0493	Volume: 277.875
Hydrophobic surface: 433.128	Hydrophilic surface: 65.186

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

MMs02343362
NCID-ZINC01717947