MMsINC Database Search


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MMsINC code: MMs00673535

Type: Neutral
Formula: C₂₅H₁₈N₂O₃

SMILES:

O(c1cc(C)c(cc1)C)c1cc2c(cc1)C(=O)N(C2=O)c1c2ncccc2ccc1

InChI:

InChI=1/C25H18N2O3/c1-15-8-9-18(13-16(15)2)30-19-10-11-20-21(14-19)25(29)27(24(20)28)22-7-3-5-17-6-4-12-26-23(17)22/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.63 kcal/mol

Physical Properties
Molecular Weight: 394.43 g/mol	logS: -7.07768	SlogP: 5.44454	Reactive groups: 0

Topological Properties
Globularity: 0.0445691	Sterimol/B1: 3.31845	Sterimol/B2: 3.45042	Sterimol/B3: 4.90345
Sterimol/B4: 6.65487	Sterimol/L: 19.5973

Surface and Volume Properties
Accessible surface: 666.746	Positive charged surface: 375.663	Negative charged surface: 285.687	Volume: 373.75
Hydrophobic surface: 585.022	Hydrophilic surface: 81.724

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.