MMsINC Database Search


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MMsINC code: MMs01176595

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

O1CC(=Cc2c1cccc2)C(=O)N(Cc1ncccc1)CCCc1ccccc1

InChI:

InChI=1/C25H24N2O2/c28-25(22-17-21-12-4-5-14-24(21)29-19-22)27(18-23-13-6-7-15-26-23)16-8-11-20-9-2-1-3-10-20/h1-7,9-10,12-15,17H,8,11,16,18-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.897 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -4.83347	SlogP: 4.78537	Reactive groups: 0

Topological Properties
Globularity: 0.0888745	Sterimol/B1: 3.3057	Sterimol/B2: 4.58435	Sterimol/B3: 5.94913
Sterimol/B4: 8.78001	Sterimol/L: 16.0394

Surface and Volume Properties
Accessible surface: 684.219	Positive charged surface: 411.058	Negative charged surface: 273.161	Volume: 385.25
Hydrophobic surface: 639.875	Hydrophilic surface: 44.344

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: 1

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Ions/Tautomers related molecules: no related molecules available.