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MMsINC code: MMs02240477

Type: Neutral
Formula: C₁₅H₂₄ClN₂+

SMILES:

Clc1ccccc1C(=[NH2+])N(CCCC)CCCC

InChI:

InChI=1/C15H23ClN2/c1-3-5-11-18(12-6-4-2)15(17)13-9-7-8-10-14(13)16/h7-10,17H,3-6,11-12H2,1-2H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=12.26 kcal/mol

Physical Properties
Molecular Weight: 267.824 g/mol	logS: -4.42408	SlogP: 2.7479	Reactive groups: 0

Topological Properties
Globularity: 0.135694	Sterimol/B1: 2.73288	Sterimol/B2: 3.89642	Sterimol/B3: 4.62559
Sterimol/B4: 7.12877	Sterimol/L: 14.0709

Surface and Volume Properties
Accessible surface: 541.905	Positive charged surface: 368.019	Negative charged surface: 173.886	Volume: 288.375
Hydrophobic surface: 444.431	Hydrophilic surface: 97.474

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02240478
NCID-ZINC01583655