MMsINC Database Search


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MMsINC code: MMs00669470

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O=C1N(CC(=O)NC(c2ccc(cc2)C)c2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C24H20N2O3/c1-16-11-13-18(14-12-16)22(17-7-3-2-4-8-17)25-21(27)15-26-23(28)19-9-5-6-10-20(19)24(26)29/h2-14,22H,15H2,1H3,(H,25,27)/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6016 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -6.11702	SlogP: 3.59232	Reactive groups: 0

Topological Properties
Globularity: 0.0807955	Sterimol/B1: 2.31829	Sterimol/B2: 3.62069	Sterimol/B3: 4.05214
Sterimol/B4: 9.20522	Sterimol/L: 18.79

Surface and Volume Properties
Accessible surface: 672.035	Positive charged surface: 366.737	Negative charged surface: 305.298	Volume: 373
Hydrophobic surface: 562.807	Hydrophilic surface: 109.228

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.