MMsINC Database Search


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MMsINC code: MMs03963346

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C)c1ccc(cc1)CN1C(c2c(cccc2)C1=O)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C24H20N2O2/c1-28-17-12-10-16(11-13-17)15-26-23(19-7-2-3-8-20(19)24(26)27)21-14-25-22-9-5-4-6-18(21)22/h2-14,23,25H,15H2,1H3/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9382 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.4235	SlogP: 5.2838	Reactive groups: 0

Topological Properties
Globularity: 0.161661	Sterimol/B1: 3.18282	Sterimol/B2: 4.29553	Sterimol/B3: 5.32239
Sterimol/B4: 7.95233	Sterimol/L: 16.1271

Surface and Volume Properties
Accessible surface: 624.532	Positive charged surface: 375.289	Negative charged surface: 247.261	Volume: 362.625
Hydrophobic surface: 537.876	Hydrophilic surface: 86.656

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.