MMsINC Database Search


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MMsINC code: MMs01139140

Type: Neutral
Formula: C₁₅H₂₆N₂O

SMILES:

O=C(N(Cc1n(ccc1)C)CCC)CC(C)(C)C

InChI:

InChI=1/C15H26N2O/c1-6-9-17(14(18)11-15(2,3)4)12-13-8-7-10-16(13)5/h7-8,10H,6,9,11-12H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.4677 kcal/mol

Physical Properties
Molecular Weight: 250.386 g/mol	logS: -2.19894	SlogP: 3.8255	Reactive groups: 0

Topological Properties
Globularity: 0.140584	Sterimol/B1: 2.36943	Sterimol/B2: 3.36137	Sterimol/B3: 3.99562
Sterimol/B4: 9.68833	Sterimol/L: 13.0602

Surface and Volume Properties
Accessible surface: 509.268	Positive charged surface: 362.03	Negative charged surface: 147.239	Volume: 283
Hydrophobic surface: 395.427	Hydrophilic surface: 113.841

Pharmacophoric Properties
Hydrogen bond donors: 0	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.