MMsINC Database Search


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MMsINC code: MMs01015320

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O=C(c1ccccc1)c1n(ccc1)CC(=O)NC(Cc1ccccc1)CC

InChI:

InChI=1/C23H24N2O2/c1-2-20(16-18-10-5-3-6-11-18)24-22(26)17-25-15-9-14-21(25)23(27)19-12-7-4-8-13-19/h3-15,20H,2,16-17H2,1H3,(H,24,26)/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8963 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -4.47876	SlogP: 4.12297	Reactive groups: 0

Topological Properties
Globularity: 0.0812195	Sterimol/B1: 2.51965	Sterimol/B2: 2.80828	Sterimol/B3: 4.58755
Sterimol/B4: 8.45904	Sterimol/L: 17.5237

Surface and Volume Properties
Accessible surface: 644.655	Positive charged surface: 380.494	Negative charged surface: 264.161	Volume: 368.75
Hydrophobic surface: 578.201	Hydrophilic surface: 66.454

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.