MMsINC Database Search


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MMsINC code: MMs03769792

Type: Neutral
Formula: C₂₄H₂₂N₂O₄

SMILES:

o1c2c(cccc2)c(C)c1C(=O)N1CCN(CC1)C(=O)c1oc2c(cccc2)c1C

InChI:

InChI=1/C24H22N2O4/c1-15-17-7-3-5-9-19(17)29-21(15)23(27)25-11-13-26(14-12-25)24(28)22-16(2)18-8-4-6-10-20(18)30-22/h3-10H,11-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.636 kcal/mol

Physical Properties
Molecular Weight: 402.45 g/mol	logS: -6.92578	SlogP: 4.39404	Reactive groups: 0

Topological Properties
Globularity: 0.0278256	Sterimol/B1: 2.25535	Sterimol/B2: 3.9178	Sterimol/B3: 3.92095
Sterimol/B4: 7.73604	Sterimol/L: 17.1147

Surface and Volume Properties
Accessible surface: 671.7	Positive charged surface: 433.168	Negative charged surface: 227.197	Volume: 380.875
Hydrophobic surface: 618.311	Hydrophilic surface: 53.389

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.