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MMsINC code: MMs00735928

Type: Neutral
Formula: C₁₆H₂₄N₂O₂

SMILES:

O1CCN(CC1)CC(=O)NC(CCc1ccccc1)C

InChI:

InChI=1/C16H24N2O2/c1-14(7-8-15-5-3-2-4-6-15)17-16(19)13-18-9-11-20-12-10-18/h2-6,14H,7-13H2,1H3,(H,17,19)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6563 kcal/mol

Physical Properties
Molecular Weight: 276.38 g/mol	logS: -2.31083	SlogP: 1.45607	Reactive groups: 0

Topological Properties
Globularity: 0.0848103	Sterimol/B1: 2.17944	Sterimol/B2: 2.88687	Sterimol/B3: 4.91558
Sterimol/B4: 7.07029	Sterimol/L: 17.2087

Surface and Volume Properties
Accessible surface: 557.894	Positive charged surface: 416.16	Negative charged surface: 141.735	Volume: 291.125
Hydrophobic surface: 493.426	Hydrophilic surface: 64.468

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs00735929
CHEMBRIDGE-ZINC02886300