MMsINC Database Search


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MMsINC code: MMs03097080

Type: Neutral
Formula: C₂₄H₃₂N₂O₂

SMILES:

O(CCCCCC)c1ccc(cc1)C(=O)N1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C24H32N2O2/c1-2-3-4-8-19-28-23-13-11-22(12-14-23)24(27)26-17-15-25(16-18-26)20-21-9-6-5-7-10-21/h5-7,9-14H,2-4,8,15-20H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.215 kcal/mol

Physical Properties
Molecular Weight: 380.532 g/mol	logS: -5.36467	SlogP: 4.8701	Reactive groups: 0

Topological Properties
Globularity: 0.0358562	Sterimol/B1: 3.28612	Sterimol/B2: 4.7045	Sterimol/B3: 4.7479
Sterimol/B4: 7.41922	Sterimol/L: 22.3249

Surface and Volume Properties
Accessible surface: 740.039	Positive charged surface: 528.142	Negative charged surface: 211.897	Volume: 405.375
Hydrophobic surface: 668.194	Hydrophilic surface: 71.845

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0

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Ions/Tautomers related molecules

MMs03097081
PUBCHEM-ZINC04185467