MMsINC Database Search


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MMsINC code: MMs03212686

Type: Neutral
Formula: C₂₄H₃₀N₃+

SMILES:

[N+](C)(C)=C1C=CC(C=C1)C(c1ccc(N(C)C)cc1)c1ccc(NC)cc1

InChI:

InChI=1/C24H30N3/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17,19,24-25H,1-5H3/q+1/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.796 kcal/mol

Physical Properties
Molecular Weight: 360.525 g/mol	logS: -4.62584	SlogP: 4.3815	Reactive groups: 0

Topological Properties
Globularity: 0.134788	Sterimol/B1: 2.54931	Sterimol/B2: 2.87038	Sterimol/B3: 4.51008
Sterimol/B4: 13.1686	Sterimol/L: 15.6768

Surface and Volume Properties
Accessible surface: 674.917	Positive charged surface: 546.44	Negative charged surface: 128.478	Volume: 391.875
Hydrophobic surface: 629.951	Hydrophilic surface: 44.966

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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: no related molecules available.