MMsINC Database Search


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MMsINC code: MMs01179041

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O1c2c(CC1)cccc2C(=O)N(Cc1ncccc1)CCCc1ccccc1

InChI:

InChI=1/C24H24N2O2/c27-24(22-13-6-11-20-14-17-28-23(20)22)26(18-21-12-4-5-15-25-21)16-7-10-19-8-2-1-3-9-19/h1-6,8-9,11-13,15H,7,10,14,16-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.467 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -4.35309	SlogP: 4.55804	Reactive groups: 0

Topological Properties
Globularity: 0.150562	Sterimol/B1: 3.32527	Sterimol/B2: 3.61338	Sterimol/B3: 5.51782
Sterimol/B4: 9.99044	Sterimol/L: 16.2681

Surface and Volume Properties
Accessible surface: 651.546	Positive charged surface: 430.305	Negative charged surface: 221.241	Volume: 376.875
Hydrophobic surface: 610.464	Hydrophilic surface: 41.082

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.