MMsINC Database Search


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MMsINC code: MMs00803817

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

O=C(N(C)c1ccccc1C(=O)NCc1ccccc1)c1ccccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.075 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -5.63683	SlogP: 4.46802	Reactive groups: 0

Topological Properties
Globularity: 0.0877354	Sterimol/B1: 2.40687	Sterimol/B2: 5.72319	Sterimol/B3: 5.81812
Sterimol/B4: 6.36057	Sterimol/L: 17.6284

Surface and Volume Properties
Accessible surface: 642.113	Positive charged surface: 382.85	Negative charged surface: 259.263	Volume: 361.125
Hydrophobic surface: 599.96	Hydrophilic surface: 42.153

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.