MMsINC Database Search


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MMsINC code: MMs03510641

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O=C(c1ccccc1NC(=O)Cn1c2c(cc1C)cccc2)c1ccccc1

InChI:

InChI=1/C24H20N2O2/c1-17-15-19-11-5-8-14-22(19)26(17)16-23(27)25-21-13-7-6-12-20(21)24(28)18-9-3-2-4-10-18/h2-15H,16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.074 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.95142	SlogP: 5.08582	Reactive groups: 0

Topological Properties
Globularity: 0.161645	Sterimol/B1: 2.29916	Sterimol/B2: 2.98026	Sterimol/B3: 5.68409
Sterimol/B4: 8.89714	Sterimol/L: 14.4155

Surface and Volume Properties
Accessible surface: 629.306	Positive charged surface: 335.095	Negative charged surface: 288.647	Volume: 367.25
Hydrophobic surface: 575.212	Hydrophilic surface: 54.094

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.