MMsINC Database Search


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MMsINC code: MMs01226299

Type: Neutral
Formula: C₁₉H₃₀N₂O₃

SMILES:

Oc1c(cc(cc1C(C)(C)C)CCC(=O)NNC(=O)C)C(C)(C)C

InChI:

InChI=1/C19H30N2O3/c1-12(22)20-21-16(23)9-8-13-10-14(18(2,3)4)17(24)15(11-13)19(5,6)7/h10-11,24H,8-9H2,1-7H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.184 kcal/mol

Physical Properties
Molecular Weight: 334.46 g/mol	logS: -4.81656	SlogP: 3.08707	Reactive groups: 0

Topological Properties
Globularity: 0.0723087	Sterimol/B1: 3.4154	Sterimol/B2: 3.7885	Sterimol/B3: 6.09814
Sterimol/B4: 6.09843	Sterimol/L: 16.801

Surface and Volume Properties
Accessible surface: 624.54	Positive charged surface: 414.307	Negative charged surface: 210.233	Volume: 350
Hydrophobic surface: 399.834	Hydrophilic surface: 224.706

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