MMsINC Database Search


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MMsINC code: MMs02361453

Type: Neutral
Formula: C₁₆H₂₀N₂O₂

SMILES:

O=C1NC(=O)N(C=C1)CCCCCCc1ccccc1

InChI:

InChI=1/C16H20N2O2/c19-15-11-13-18(16(20)17-15)12-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-11,13H,1-2,4,7-8,12H2,(H,17,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.20669 kcal/mol

Physical Properties
Molecular Weight: 272.348 g/mol	logS: -3.88386	SlogP: 2.85497	Reactive groups: 0

Topological Properties
Globularity: 0.0327323	Sterimol/B1: 2.66604	Sterimol/B2: 3.62412	Sterimol/B3: 3.75598
Sterimol/B4: 3.95323	Sterimol/L: 19.0507

Surface and Volume Properties
Accessible surface: 548.503	Positive charged surface: 341.472	Negative charged surface: 207.031	Volume: 277.75
Hydrophobic surface: 431.778	Hydrophilic surface: 116.725

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.