MMsINC Database Search


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MMsINC code: MMs00490900

Type: Neutral
Formula: C₁₈H₂₆N₂O₃

SMILES:

OC(=O)c1ccccc1C(=O)N(C)C1CC(NC(C1)(C)C)(C)C

InChI:

InChI=1/C18H26N2O3/c1-17(2)10-12(11-18(3,4)19-17)20(5)15(21)13-8-6-7-9-14(13)16(22)23/h6-9,12,19H,10-11H2,1-5H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6705 kcal/mol

Physical Properties
Molecular Weight: 318.417 g/mol	logS: -3.02258	SlogP: 2.766	Reactive groups: 0

Topological Properties
Globularity: 0.125221	Sterimol/B1: 2.3166	Sterimol/B2: 3.87988	Sterimol/B3: 4.18277
Sterimol/B4: 7.61224	Sterimol/L: 14.4667

Surface and Volume Properties
Accessible surface: 555.751	Positive charged surface: 371.555	Negative charged surface: 184.197	Volume: 318.375
Hydrophobic surface: 375.473	Hydrophilic surface: 180.278

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.