MMsINC Database Search


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MMsINC code: MMs01984467

Type: Neutral
Formula: C₁₆H₂₂N₂O₂

SMILES:

O=C(NCC(=O)NC1CCCCC1)c1ccc(cc1)C

InChI:

InChI=1/C16H22N2O2/c1-12-7-9-13(10-8-12)16(20)17-11-15(19)18-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,17,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.8836 kcal/mol

Physical Properties
Molecular Weight: 274.364 g/mol	logS: -3.64864	SlogP: 2.17372	Reactive groups: 0

Topological Properties
Globularity: 0.0272294	Sterimol/B1: 2.4655	Sterimol/B2: 3.05412	Sterimol/B3: 3.4674
Sterimol/B4: 5.78184	Sterimol/L: 18.2498

Surface and Volume Properties
Accessible surface: 552.636	Positive charged surface: 375.459	Negative charged surface: 177.176	Volume: 281
Hydrophobic surface: 463.252	Hydrophilic surface: 89.384

Pharmacophoric Properties
Hydrogen bond donors: 2	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.