MMsINC Database Search


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MMsINC code: MMs02855153

Type: Neutral
Formula: C₂₄H₂₇N

SMILES:

N(C(CC)c1ccccc1)CCC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H27N/c1-2-24(22-16-10-5-11-17-22)25-19-18-23(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17,23-25H,2,18-19H2,1H3/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9539 kcal/mol

Physical Properties
Molecular Weight: 329.487 g/mol	logS: -5.32796	SlogP: 6.045	Reactive groups: 0

Topological Properties
Globularity: 0.172074	Sterimol/B1: 2.54835	Sterimol/B2: 5.31242	Sterimol/B3: 5.36869
Sterimol/B4: 7.12641	Sterimol/L: 16.18

Surface and Volume Properties
Accessible surface: 641.03	Positive charged surface: 394.483	Negative charged surface: 246.547	Volume: 365
Hydrophobic surface: 610.148	Hydrophilic surface: 30.882

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02855154
PUBCHEM-ZINC02019530