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MMsINC code: MMs00978092

Type: Neutral
Formula: C₁₈H₂₄N₂O₂

SMILES:

O=C1N(Cc2c1c(ccc2)C(=O)NC1CCCCC1)CCC

InChI:

InChI=1/C18H24N2O2/c1-2-11-20-12-13-7-6-10-15(16(13)18(20)22)17(21)19-14-8-4-3-5-9-14/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.4468 kcal/mol

Physical Properties
Molecular Weight: 300.402 g/mol	logS: -3.69367	SlogP: 3.3813	Reactive groups: 0

Topological Properties
Globularity: 0.0427622	Sterimol/B1: 2.21307	Sterimol/B2: 3.04277	Sterimol/B3: 3.42952
Sterimol/B4: 9.02134	Sterimol/L: 16.4222

Surface and Volume Properties
Accessible surface: 569.8	Positive charged surface: 421.853	Negative charged surface: 147.947	Volume: 308
Hydrophobic surface: 487.884	Hydrophilic surface: 81.916

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.