MMsINC Database Search


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MMsINC code: MMs02023238

Type: Neutral
Formula: C₁₉H₃₀N₂O₃

SMILES:

O(C(=O)c1n(CC)c(C)c(C(=O)NC2CCCCC2C)c1C)CC

InChI:

InChI=1/C19H30N2O3/c1-6-21-14(5)16(13(4)17(21)19(23)24-7-2)18(22)20-15-11-9-8-10-12(15)3/h12,15H,6-11H2,1-5H3,(H,20,22)/t12-,15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.1422 kcal/mol

Physical Properties
Molecular Weight: 334.46 g/mol	logS: -3.20408	SlogP: 3.87644	Reactive groups: 0

Topological Properties
Globularity: 0.0544046	Sterimol/B1: 1.969	Sterimol/B2: 2.74165	Sterimol/B3: 5.36293
Sterimol/B4: 6.54177	Sterimol/L: 18.376

Surface and Volume Properties
Accessible surface: 615.517	Positive charged surface: 436.77	Negative charged surface: 178.747	Volume: 348.875
Hydrophobic surface: 488.307	Hydrophilic surface: 127.21

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.