MMsINC Database Search


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MMsINC code: MMs01683146

Type: Neutral
Formula: C₁₈H₂₆N₂O₂

SMILES:

O=C(N(C)C1CCCCC1)CC(NC(=O)C)c1ccccc1

InChI:

InChI=1/C18H26N2O2/c1-14(21)19-17(15-9-5-3-6-10-15)13-18(22)20(2)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,4,7-8,11-13H2,1-2H3,(H,19,21)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.571 kcal/mol

Physical Properties
Molecular Weight: 302.418 g/mol	logS: -2.95801	SlogP: 3.1405	Reactive groups: 0

Topological Properties
Globularity: 0.0918274	Sterimol/B1: 2.17185	Sterimol/B2: 3.68873	Sterimol/B3: 3.7654
Sterimol/B4: 8.05336	Sterimol/L: 16.4329

Surface and Volume Properties
Accessible surface: 584.054	Positive charged surface: 409.335	Negative charged surface: 174.719	Volume: 315.5
Hydrophobic surface: 526.148	Hydrophilic surface: 57.906

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.