MMsINC Database Search


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MMsINC code: MMs00191424

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

o1c2c(nc1-c1cccc(NC(=O)c3cc(OC(C)C)ccc3)c1C)cccc2

InChI:

InChI=1/C24H22N2O3/c1-15(2)28-18-9-6-8-17(14-18)23(27)25-20-12-7-10-19(16(20)3)24-26-21-11-4-5-13-22(21)29-24/h4-15H,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.808 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -7.53581	SlogP: 5.84272	Reactive groups: 0

Topological Properties
Globularity: 0.0262887	Sterimol/B1: 2.72113	Sterimol/B2: 3.3674	Sterimol/B3: 4.19031
Sterimol/B4: 6.84926	Sterimol/L: 21.9895

Surface and Volume Properties
Accessible surface: 683.45	Positive charged surface: 397.928	Negative charged surface: 285.522	Volume: 378.75
Hydrophobic surface: 569.913	Hydrophilic surface: 113.537

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