MMsINC Database Search


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MMsINC code: MMs02261632

Type: Neutral
Formula: C₁₅H₂₆N₂O₂

SMILES:

O(C)c1ccc(cc1)C(O)C(CN(C)C)CN(C)C

InChI:

InChI=1/C15H26N2O2/c1-16(2)10-13(11-17(3)4)15(18)12-6-8-14(19-5)9-7-12/h6-9,13,15,18H,10-11H2,1-5H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.675 kcal/mol

Physical Properties
Molecular Weight: 266.385 g/mol	logS: -1.07839	SlogP: 1.5635	Reactive groups: 0

Topological Properties
Globularity: 0.145508	Sterimol/B1: 2.28149	Sterimol/B2: 3.8738	Sterimol/B3: 5.30786
Sterimol/B4: 5.72046	Sterimol/L: 15.1582

Surface and Volume Properties
Accessible surface: 499.333	Positive charged surface: 428.128	Negative charged surface: 71.2054	Volume: 287.75
Hydrophobic surface: 456.504	Hydrophilic surface: 42.829

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs02261633
NCID-ZINC01610808