MMsINC Database Search


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MMsINC code: MMs02356404

Type: Neutral
Formula: C₁₅H₂₇N₃

SMILES:

N(Cc1ccccc1)(CCN(C)C)CCN(C)C

InChI:

InChI=1/C15H27N3/c1-16(2)10-12-18(13-11-17(3)4)14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.3071 kcal/mol

Physical Properties
Molecular Weight: 249.402 g/mol	logS: -1.05211	SlogP: 1.8782	Reactive groups: 0

Topological Properties
Globularity: 0.148699	Sterimol/B1: 3.51988	Sterimol/B2: 3.86933	Sterimol/B3: 5.55461
Sterimol/B4: 6.35117	Sterimol/L: 13.666

Surface and Volume Properties
Accessible surface: 548.34	Positive charged surface: 462.069	Negative charged surface: 86.2711	Volume: 286.875
Hydrophobic surface: 535.089	Hydrophilic surface: 13.251

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs02356406
NCID-ZINC01734004