MMsINC Database Search


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MMsINC code: MMs00963057

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O=C1N(c2ccc(cc2)CC)C(=O)N(c2c1cccc2)Cc1ccccc1

InChI:

InChI=1/C23H20N2O2/c1-2-17-12-14-19(15-13-17)25-22(26)20-10-6-7-11-21(20)24(23(25)27)16-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.563 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -6.30682	SlogP: 5.30237	Reactive groups: 0

Topological Properties
Globularity: 0.078354	Sterimol/B1: 3.61826	Sterimol/B2: 3.85596	Sterimol/B3: 4.84353
Sterimol/B4: 7.38439	Sterimol/L: 15.9711

Surface and Volume Properties
Accessible surface: 615.756	Positive charged surface: 356.862	Negative charged surface: 258.894	Volume: 351.25
Hydrophobic surface: 532.745	Hydrophilic surface: 83.011

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

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Ions/Tautomers related molecules: no related molecules available.