MMsINC Database Search


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MMsINC code: MMs02550332

Type: Neutral
Formula: C₁₉H₃₀N₂O₂

SMILES:

O(Cc1ccccc1)C(=O)N(C(C(C)(C)C)CN1CCCC1)C

InChI:

InChI=1/C19H30N2O2/c1-19(2,3)17(14-21-12-8-9-13-21)20(4)18(22)23-15-16-10-6-5-7-11-16/h5-7,10-11,17H,8-9,12-15H2,1-4H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.945 kcal/mol

Physical Properties
Molecular Weight: 318.461 g/mol	logS: -2.88463	SlogP: 4.0319	Reactive groups: 0

Topological Properties
Globularity: 0.141464	Sterimol/B1: 2.26631	Sterimol/B2: 3.24819	Sterimol/B3: 5.60265
Sterimol/B4: 8.61579	Sterimol/L: 15.027

Surface and Volume Properties
Accessible surface: 597.246	Positive charged surface: 435.004	Negative charged surface: 162.243	Volume: 342.375
Hydrophobic surface: 541.73	Hydrophilic surface: 55.516

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs02550333
OAKWOOD-ZINC04255667