MMsINC Database Search


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MMsINC code: MMs00630708

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C(N1CCC(CC1)C(=O)N)c1ccc(cc1C)C

InChI:

InChI=1/C15H20N2O2/c1-10-3-4-13(11(2)9-10)15(19)17-7-5-12(6-8-17)14(16)18/h3-4,9,12H,5-8H2,1-2H3,(H2,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.3514 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -2.96028	SlogP: 1.64094	Reactive groups: 0

Topological Properties
Globularity: 0.132187	Sterimol/B1: 2.52869	Sterimol/B2: 3.38379	Sterimol/B3: 4.16589
Sterimol/B4: 5.80659	Sterimol/L: 14.2587

Surface and Volume Properties
Accessible surface: 493.45	Positive charged surface: 333.983	Negative charged surface: 159.466	Volume: 262.875
Hydrophobic surface: 368.407	Hydrophilic surface: 125.043

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.