MMsINC Database Search


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MMsINC code: MMs00014833

Type: Neutral
Formula: C₂₇H₃₇N₂+

SMILES:

[n+]1(ccn(c1)-c1c(cccc1C(C)C)C(C)C)-c1c(cccc1C(C)C)C(C)C

InChI:

InChI=1/C27H37N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-21H,1-8H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.762 kcal/mol

Physical Properties
Molecular Weight: 389.607 g/mol	logS: -8.16409	SlogP: 7.2476	Reactive groups: 0

Topological Properties
Globularity: 0.247272	Sterimol/B1: 3.18346	Sterimol/B2: 4.24874	Sterimol/B3: 4.62764
Sterimol/B4: 9.12938	Sterimol/L: 14.8628

Surface and Volume Properties
Accessible surface: 668.908	Positive charged surface: 452.05	Negative charged surface: 216.858	Volume: 437.75
Hydrophobic surface: 515.339	Hydrophilic surface: 153.569

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.