MMsINC Database Search


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MMsINC code: MMs00187094

Type: Neutral
Formula: C₂₄H₁₆N₂O₂

SMILES:

O=C1N(C(=O)c2c3c1cccc3ccc2)c1ccc(cc1)-c1ccc(N)cc1

InChI:

InChI=1/C24H16N2O2/c25-18-11-7-15(8-12-18)16-9-13-19(14-10-16)26-23(27)20-5-1-3-17-4-2-6-21(22(17)20)24(26)28/h1-14H,25H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.701 kcal/mol

Physical Properties
Molecular Weight: 364.404 g/mol	logS: -7.78373	SlogP: 4.8896	Reactive groups: 0

Topological Properties
Globularity: 0.0464421	Sterimol/B1: 2.43953	Sterimol/B2: 3.62572	Sterimol/B3: 3.63013
Sterimol/B4: 7.24002	Sterimol/L: 19.2504

Surface and Volume Properties
Accessible surface: 599.381	Positive charged surface: 312.459	Negative charged surface: 267.165	Volume: 345.125
Hydrophobic surface: 477.95	Hydrophilic surface: 121.431

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.