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MMsINC code: MMs00431453

Type: Neutral
Formula: C₁₈H₂₄N₂O₂

SMILES:

O=C1N(CC(C1)C(=O)NC1CCCCC1)Cc1ccccc1

InChI:

InChI=1/C18H24N2O2/c21-17-11-15(18(22)19-16-9-5-2-6-10-16)13-20(17)12-14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,19,22)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.1288 kcal/mol

Physical Properties
Molecular Weight: 300.402 g/mol	logS: -2.85597	SlogP: 2.7504	Reactive groups: 0

Topological Properties
Globularity: 0.0629721	Sterimol/B1: 2.66434	Sterimol/B2: 3.07317	Sterimol/B3: 4.06041
Sterimol/B4: 5.70059	Sterimol/L: 17.4731

Surface and Volume Properties
Accessible surface: 567.381	Positive charged surface: 396.83	Negative charged surface: 170.55	Volume: 308.125
Hydrophobic surface: 486.801	Hydrophilic surface: 80.58

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.