MMsINC Database Search


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MMsINC code: MMs01799806

Type: Neutral
Formula: C₂₄H₁₈N₄O

SMILES:

O=C(n1nnc2c1cccc2)c1cc(nc2c1cccc2)-c1cc(C)c(cc1)C

InChI:

InChI=1/C24H18N4O/c1-15-11-12-17(13-16(15)2)22-14-19(18-7-3-4-8-20(18)25-22)24(29)28-23-10-6-5-9-21(23)26-27-28/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.625 kcal/mol

Physical Properties
Molecular Weight: 378.435 g/mol	logS: -7.13744	SlogP: 4.95184	Reactive groups: 0

Topological Properties
Globularity: 0.00443551	Sterimol/B1: 2.21324	Sterimol/B2: 2.51439	Sterimol/B3: 3.08518
Sterimol/B4: 10.7623	Sterimol/L: 17.1679

Surface and Volume Properties
Accessible surface: 626.923	Positive charged surface: 316.044	Negative charged surface: 300.838	Volume: 364.75
Hydrophobic surface: 545.811	Hydrophilic surface: 81.112

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.