MMsINC Database Search


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MMsINC code: MMs02365318

Type: Neutral
Formula: C₁₅H₂₄N₂O₃

SMILES:

O(C)c1ccc(cc1)C(CC(=O)NCCN(C)C)CO

InChI:

InChI=1/C15H24N2O3/c1-17(2)9-8-16-15(19)10-13(11-18)12-4-6-14(20-3)7-5-12/h4-7,13,18H,8-11H2,1-3H3,(H,16,19)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1166 kcal/mol

Physical Properties
Molecular Weight: 280.368 g/mol	logS: -1.09469	SlogP: 0.839	Reactive groups: 0

Topological Properties
Globularity: 0.0533128	Sterimol/B1: 2.96654	Sterimol/B2: 4.43296	Sterimol/B3: 4.50701
Sterimol/B4: 4.63931	Sterimol/L: 18.8114

Surface and Volume Properties
Accessible surface: 570.279	Positive charged surface: 468.178	Negative charged surface: 102.101	Volume: 289
Hydrophobic surface: 469.929	Hydrophilic surface: 100.35

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs02365319
NCID-ZINC01757221