MMsINC Database Search


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MMsINC code: MMs00796666

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

O=C(N(Cc1ccccc1)CC)c1ccccc1NC(=O)c1ccccc1

InChI:

InChI=1/C23H22N2O2/c1-2-25(17-18-11-5-3-6-12-18)23(27)20-15-9-10-16-21(20)24-22(26)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.707 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -5.49012	SlogP: 4.8676	Reactive groups: 0

Topological Properties
Globularity: 0.137605	Sterimol/B1: 2.09759	Sterimol/B2: 5.12306	Sterimol/B3: 6.55568
Sterimol/B4: 7.09233	Sterimol/L: 16.9303

Surface and Volume Properties
Accessible surface: 631.644	Positive charged surface: 353.135	Negative charged surface: 278.51	Volume: 363.875
Hydrophobic surface: 560.015	Hydrophilic surface: 71.629

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.