MMsINC Database Search


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MMsINC code: MMs00700853

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

o1c2c(nc1-c1ccccc1C)cc(NC(=O)c1ccc(OCCC)cc1)cc2

InChI:

InChI=1/C24H22N2O3/c1-3-14-28-19-11-8-17(9-12-19)23(27)25-18-10-13-22-21(15-18)26-24(29-22)20-7-5-4-6-16(20)2/h4-13,15H,3,14H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.443 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -7.72382	SlogP: 5.84432	Reactive groups: 0

Topological Properties
Globularity: 0.0262901	Sterimol/B1: 2.82801	Sterimol/B2: 4.08453	Sterimol/B3: 4.73293
Sterimol/B4: 5.34681	Sterimol/L: 23.9096

Surface and Volume Properties
Accessible surface: 707.936	Positive charged surface: 427.706	Negative charged surface: 280.231	Volume: 378.375
Hydrophobic surface: 612.166	Hydrophilic surface: 95.77

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.