MMsINC Database Search


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MMsINC code: MMs01067675

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O(CCCNC(=O)Cc1c2c([nH]c1)cccc2)CC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.1605 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -2.554	SlogP: 2.25317	Reactive groups: 0

Topological Properties
Globularity: 0.0361282	Sterimol/B1: 3.1786	Sterimol/B2: 3.28565	Sterimol/B3: 4.41892
Sterimol/B4: 4.98798	Sterimol/L: 18.5456

Surface and Volume Properties
Accessible surface: 554.63	Positive charged surface: 392.167	Negative charged surface: 158.909	Volume: 268.375
Hydrophobic surface: 437.155	Hydrophilic surface: 117.475

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.