MMsINC Database Search


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MMsINC code: MMs03029069

Type: Neutral
Formula: C₂₃H₂₄N₂

SMILES:

N1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H24N2/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21)25-18-16-24(17-19-25)22-14-8-3-9-15-22/h1-15,23H,16-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=163.572 kcal/mol

Physical Properties
Molecular Weight: 328.459 g/mol	logS: -4.89482	SlogP: 4.6937	Reactive groups: 0

Topological Properties
Globularity: 0.105196	Sterimol/B1: 2.35186	Sterimol/B2: 3.24669	Sterimol/B3: 4.53758
Sterimol/B4: 9.34311	Sterimol/L: 15.1969

Surface and Volume Properties
Accessible surface: 596.606	Positive charged surface: 368.525	Negative charged surface: 228.081	Volume: 348.875
Hydrophobic surface: 585.94	Hydrophilic surface: 10.666

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
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

MMs03029070
PUBCHEM-ZINC03634739