MMsINC Database Search


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MMsINC code: MMs01962505

Type: Neutral
Formula: C₁₈H₂₈N₂O₂

SMILES:

O1CCC(N(C(C)c2ccccc2)C(=O)N(C)C)CC1(C)C

InChI:

InChI=1/C18H28N2O2/c1-14(15-9-7-6-8-10-15)20(17(21)19(4)5)16-11-12-22-18(2,3)13-16/h6-10,14,16H,11-13H2,1-5H3/t14-,16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.584 kcal/mol

Physical Properties
Molecular Weight: 304.434 g/mol	logS: -2.8369	SlogP: 3.7843	Reactive groups: 0

Topological Properties
Globularity: 0.399157	Sterimol/B1: 2.0448	Sterimol/B2: 5.27229	Sterimol/B3: 6.0897
Sterimol/B4: 6.81446	Sterimol/L: 11.1165

Surface and Volume Properties
Accessible surface: 525.81	Positive charged surface: 385.161	Negative charged surface: 140.649	Volume: 315.875
Hydrophobic surface: 445.354	Hydrophilic surface: 80.456

Pharmacophoric Properties
Hydrogen bond donors: 0	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.