MMsINC Database Search


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MMsINC code: MMs02297571

Type: Neutral
Formula: C₁₅H₁₁NO₃

SMILES:

O=C(C(=O)NC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H11NO3/c17-13(11-7-3-1-4-8-11)15(19)16-14(18)12-9-5-2-6-10-12/h1-10H,(H,16,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.1242 kcal/mol

Physical Properties
Molecular Weight: 253.257 g/mol	logS: -4.01757	SlogP: 1.8259	Reactive groups: 0

Topological Properties
Globularity: 0.000505131	Sterimol/B1: 2.11254	Sterimol/B2: 2.26881	Sterimol/B3: 3.49098
Sterimol/B4: 4.32372	Sterimol/L: 16.5268

Surface and Volume Properties
Accessible surface: 477.956	Positive charged surface: 236.994	Negative charged surface: 240.962	Volume: 238.5
Hydrophobic surface: 370.256	Hydrophilic surface: 107.7

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

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Ions/Tautomers related molecules: no related molecules available.