MMsINC Database Search


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MMsINC code: MMs02210949

Type: Neutral
Formula: C₂₅H₁₉NO₂

SMILES:

O=C(c1cc(ccc1NC(=O)c1cc2c(cc1)cccc2)C)c1ccccc1

InChI:

InChI=1/C25H19NO2/c1-17-11-14-23(22(15-17)24(27)19-8-3-2-4-9-19)26-25(28)21-13-12-18-7-5-6-10-20(18)16-21/h2-16H,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.393 kcal/mol

Physical Properties
Molecular Weight: 365.432 g/mol	logS: -7.77948	SlogP: 5.63152	Reactive groups: 0

Topological Properties
Globularity: 0.0852012	Sterimol/B1: 2.80161	Sterimol/B2: 4.07377	Sterimol/B3: 4.6289
Sterimol/B4: 9.44685	Sterimol/L: 17.3108

Surface and Volume Properties
Accessible surface: 637.677	Positive charged surface: 330.05	Negative charged surface: 296.349	Volume: 361.375
Hydrophobic surface: 581.662	Hydrophilic surface: 56.015

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.