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MMsINC code: MMs02302685

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O(C(=O)C(N)Cc1c2c([nH]c1)cccc2)CCCC

InChI:

InChI=1/C15H20N2O2/c1-2-3-8-19-15(18)13(16)9-11-10-17-14-7-5-4-6-12(11)14/h4-7,10,13,17H,2-3,8-9,16H2,1H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.3686 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -2.85354	SlogP: 2.38097	Reactive groups: 0

Topological Properties
Globularity: 0.031337	Sterimol/B1: 2.6519	Sterimol/B2: 3.42459	Sterimol/B3: 3.74706
Sterimol/B4: 6.26429	Sterimol/L: 16.7124

Surface and Volume Properties
Accessible surface: 536.312	Positive charged surface: 360.107	Negative charged surface: 171.935	Volume: 269.5
Hydrophobic surface: 392.064	Hydrophilic surface: 144.248

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs02302686
NCID-ZINC01666481