MMsINC Database Search


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MMsINC code: MMs02357320

Type: Neutral
Formula: C₂₃H₂₆N₂

SMILES:

N(CC(C)c1ccccc1)(CCNc1ccccc1)c1ccccc1

InChI:

InChI=1/C23H26N2/c1-20(21-11-5-2-6-12-21)19-25(23-15-9-4-10-16-23)18-17-24-22-13-7-3-8-14-22/h2-16,20,24H,17-19H2,1H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.145 kcal/mol

Physical Properties
Molecular Weight: 330.475 g/mol	logS: -4.93423	SlogP: 5.4088	Reactive groups: 0

Topological Properties
Globularity: 0.103135	Sterimol/B1: 2.58233	Sterimol/B2: 5.2732	Sterimol/B3: 6.43932
Sterimol/B4: 6.85906	Sterimol/L: 16.4047

Surface and Volume Properties
Accessible surface: 637.646	Positive charged surface: 381.487	Negative charged surface: 256.159	Volume: 361.5
Hydrophobic surface: 594.05	Hydrophilic surface: 43.596

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