MMsINC Database Search


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MMsINC code: MMs01141755

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

o1c2cc(n(c2cc1)CC)C(=O)NC1CCCCC1

InChI:

InChI=1/C15H20N2O2/c1-2-17-12-8-9-19-14(12)10-13(17)15(18)16-11-6-4-3-5-7-11/h8-11H,2-7H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.9795 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -3.23364	SlogP: 3.5831	Reactive groups: 0

Topological Properties
Globularity: 0.0595544	Sterimol/B1: 2.5049	Sterimol/B2: 3.0276	Sterimol/B3: 3.50092
Sterimol/B4: 6.93628	Sterimol/L: 15.4216

Surface and Volume Properties
Accessible surface: 505.529	Positive charged surface: 342.254	Negative charged surface: 163.275	Volume: 263.5
Hydrophobic surface: 436.692	Hydrophilic surface: 68.837

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