MMsINC Database Search


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MMsINC code: MMs02054792

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O=C1N(CC(NC(=O)C(c2ccccc2)c2ccccc2)C1)c1ccccc1

InChI:

InChI=1/C24H22N2O2/c27-22-16-20(17-26(22)21-14-8-3-9-15-21)25-24(28)23(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,20,23H,16-17H2,(H,25,28)/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.411 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -5.15614	SlogP: 3.7402	Reactive groups: 0

Topological Properties
Globularity: 0.102343	Sterimol/B1: 2.54291	Sterimol/B2: 3.7629	Sterimol/B3: 4.19081
Sterimol/B4: 8.9442	Sterimol/L: 17.8003

Surface and Volume Properties
Accessible surface: 650.96	Positive charged surface: 374.22	Negative charged surface: 276.739	Volume: 367.875
Hydrophobic surface: 594.282	Hydrophilic surface: 56.678

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.