MMsINC Database Search


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MMsINC code: MMs00532073

Type: Neutral
Formula: C₉H₁₆N₂O₂

SMILES:

O=C(NC1CC1)C(=O)NCCCC

InChI:

InChI=1/C9H16N2O2/c1-2-3-6-10-8(12)9(13)11-7-4-5-7/h7H,2-6H2,1H3,(H,10,12)(H,11,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.3902 kcal/mol

Physical Properties
Molecular Weight: 184.239 g/mol	logS: -1.53226	SlogP: 0.1813	Reactive groups: 0

Topological Properties
Globularity: 0.0288719	Sterimol/B1: 2.73622	Sterimol/B2: 2.85571	Sterimol/B3: 2.94897
Sterimol/B4: 3.86162	Sterimol/L: 15.6576

Surface and Volume Properties
Accessible surface: 437.957	Positive charged surface: 308.918	Negative charged surface: 129.039	Volume: 191.375
Hydrophobic surface: 265.325	Hydrophilic surface: 172.632

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.