MMsINC Database Search


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MMsINC code: MMs02226239

Type: Neutral
Formula: C₂₄H₁₆N₂O₂

SMILES:

O=C1N(C(=O)c2c1c(c1c(c2)cccc1)-c1ncccc1)c1ccc(cc1)C

InChI:

InChI=1/C24H16N2O2/c1-15-9-11-17(12-10-15)26-23(27)19-14-16-6-2-3-7-18(16)21(22(19)24(26)28)20-8-4-5-13-25-20/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.716 kcal/mol

Physical Properties
Molecular Weight: 364.404 g/mol	logS: -7.24743	SlogP: 5.01082	Reactive groups: 0

Topological Properties
Globularity: 0.0181609	Sterimol/B1: 3.13744	Sterimol/B2: 3.19219	Sterimol/B3: 5.93312
Sterimol/B4: 6.54101	Sterimol/L: 17.1217

Surface and Volume Properties
Accessible surface: 608.046	Positive charged surface: 330.117	Negative charged surface: 263.496	Volume: 349.125
Hydrophobic surface: 548.343	Hydrophilic surface: 59.703

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.