MMsINC Database Search


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MMsINC code: MMs02027899

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CCCC)c1ccc(cc1)C(=O)Nc1c2c3c(ccc2)C(=O)N(c3cc1)CC

InChI:

InChI=1/C24H24N2O3/c1-3-5-15-29-17-11-9-16(10-12-17)23(27)25-20-13-14-21-22-18(20)7-6-8-19(22)24(28)26(21)4-2/h6-14H,3-5,15H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.089 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -6.87304	SlogP: 5.2511	Reactive groups: 0

Topological Properties
Globularity: 0.0115641	Sterimol/B1: 2.6657	Sterimol/B2: 2.96967	Sterimol/B3: 5.00706
Sterimol/B4: 5.64143	Sterimol/L: 22.0916

Surface and Volume Properties
Accessible surface: 690.797	Positive charged surface: 432.297	Negative charged surface: 248.71	Volume: 381.25
Hydrophobic surface: 566.132	Hydrophilic surface: 124.665

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.